1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene

C28H28O2 — CID 141152735

IUPAC1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
SMILESCOCc1ccc2ccccc2c1-c1c(OC2CCCCC2)ccc2ccccc12
InChIInChI=1S/C28H28O2/c1-29-19-22-16-15-20-9-5-7-13-24(20)27(22)28-25-14-8-6-10-21(25)17-18-26(28)30-23-11-3-2-4-12-23/h5-10,13-18,23H,2-4,11-12,19H2,1H3
InChIKeyHUFGTBGPEUWLGH-UHFFFAOYSA-N
MW396.53 g/mol
LogP7.52
Rot. Bonds5

About 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene

1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene (PubChem CID 141152735) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene.

Molecular Properties

Compound Name1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
PubChem CID141152735
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
SMILESCOCc1ccc2ccccc2c1-c1c(OC2CCCCC2)ccc2ccccc12
InChIInChI=1S/C28H28O2/c1-29-19-22-16-15-20-9-5-7-13-24(20)27(22)28-25-14-8-6-10-21(25)17-18-26(28)30-23-11-3-2-4-12-23/h5-10,13-18,23H,2-4,11-12,19H2,1H3
InChIKeyHUFGTBGPEUWLGH-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
1-(chloromethyl)-3-cyclohexyloxynaphthalene
CID 146459949
1,2-dicyclohexyloxybenzene
CID 67331328
1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
CID 61028513
1-(1-cyclohexyloxynaphthalen-2-yl)ethanamine
CID 43475177
9-cyclohexyloxyanthracene
CID 139783427
cyclohexyloxy-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxy-oxophosphanium
CID 177467379
2-methoxy-4-[2-(methoxymethyl)naphthalen-1-yl]phenol
CID 172890355
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene?
The IUPAC name of 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene (CID 141152735) is 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene.
What is the SMILES notation for 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene?
The canonical SMILES for 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene is COCc1ccc2ccccc2c1-c1c(OC2CCCCC2)ccc2ccccc12.
What is the InChIKey of 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene?
The InChIKey is HUFGTBGPEUWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O2/c1-29-19-22-16-15-20-9-5-7-13-24(20)27(22)28-25-14-8-6-10-21(25)17-18-26(28)30-23-11-3-2-4-12-23/h5-10,13-18,23H,2-4,11-12,19H2,1H3.
What are the key properties of 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene?
1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene has a molecular weight of 396.53 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene is sourced from PubChem (CID 141152735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).