3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol

C36H40O2 — CID 142368734

IUPAC3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol
SMILESOC1CCC(CCOc2ccc([C@@H]3c4ccc(Cc5ccccc5)cc4CCC3C3=CCCC=C3)cc2)C1
InChIInChI=1S/C36H40O2/c37-32-16-11-27(25-32)21-22-38-33-17-13-30(14-18-33)36-34(29-9-5-2-6-10-29)20-15-31-24-28(12-19-35(31)36)23-26-7-3-1-4-8-26/h1,3-5,7-10,12-14,17-19,24,27,32,34,36-37H,2,6,11,15-16,20-23,25H2/t27?,32?,34?,36-/m0/s1
InChIKeyNVIVGLQROFXYAH-YWQQOPENSA-N
MW504.71 g/mol
LogP8.18
Rot. Bonds8

About 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol

3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol (PubChem CID 142368734) has the molecular formula C36H40O2 and a molecular weight of 504.71 g/mol. Its IUPAC name is 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol
PubChem CID142368734
Molecular FormulaC36H40O2
Molecular Weight504.71 g/mol
Exact Mass504.30
IUPAC Name3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol
SMILESOC1CCC(CCOc2ccc([C@@H]3c4ccc(Cc5ccccc5)cc4CCC3C3=CCCC=C3)cc2)C1
InChIInChI=1S/C36H40O2/c37-32-16-11-27(25-32)21-22-38-33-17-13-30(14-18-33)36-34(29-9-5-2-6-10-29)20-15-31-24-28(12-19-35(31)36)23-26-7-3-1-4-8-26/h1,3-5,7-10,12-14,17-19,24,27,32,34,36-37H,2,6,11,15-16,20-23,25H2/t27?,32?,34?,36-/m0/s1
InChIKeyNVIVGLQROFXYAH-YWQQOPENSA-N
XLogP8.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.71
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol with MolForge

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Related Compounds

5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentane-1,3-diol
CID 134580274
1-[4-[2-[4-[4-[4-(6-benzyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]phenyl]-1,3-diazinane-2,4-dione;ethane
CID 167478994
(5R,6S)-5-[4-[3-(5,8-dioxaspiro[3.4]octan-2-yl)propoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582883
4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butanal
CID 134582383
tert-butyl 4-[2-[4-[(1R,2S)-6-butoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidine-1-carboxylate
CID 134583005
bromomethane;chloromethane;ethane;1-[4-(4-methylpentoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 142368175
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
(5S,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10527520
3-[2-(4-benzylphenoxy)ethyl]azetidine
CID 107391708
tert-butyl 2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetate
CID 167478416
4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
CID 142367448
[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
CID 146587686

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol?
The IUPAC name of 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol (CID 142368734) is 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol?
The canonical SMILES for 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol is OC1CCC(CCOc2ccc([C@@H]3c4ccc(Cc5ccccc5)cc4CCC3C3=CCCC=C3)cc2)C1.
What is the InChIKey of 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol?
The InChIKey is NVIVGLQROFXYAH-YWQQOPENSA-N. The full InChI is InChI=1S/C36H40O2/c37-32-16-11-27(25-32)21-22-38-33-17-13-30(14-18-33)36-34(29-9-5-2-6-10-29)20-15-31-24-28(12-19-35(31)36)23-26-7-3-1-4-8-26/h1,3-5,7-10,12-14,17-19,24,27,32,34,36-37H,2,6,11,15-16,20-23,25H2/t27?,32?,34?,36-/m0/s1.
What are the key properties of 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol?
3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol has a molecular weight of 504.71 g/mol, XLogP of 8.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(1R)-6-benzyl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 142368734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).