4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol

C26H28O2 — CID 70854583

IUPAC4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
SMILESCCC1C(c2ccc(O)cc2)Cc2ccc(OC)cc2C1Cc1ccccc1
InChIInChI=1S/C26H28O2/c1-3-23-24(19-9-12-21(27)13-10-19)16-20-11-14-22(28-2)17-25(20)26(23)15-18-7-5-4-6-8-18/h4-14,17,23-24,26-27H,3,15-16H2,1-2H3
InChIKeyLKEGYDGIAWWBDY-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.09
Rot. Bonds5

About 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol

4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol (PubChem CID 70854583) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol.

Molecular Properties

Compound Name4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
PubChem CID70854583
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
SMILESCCC1C(c2ccc(O)cc2)Cc2ccc(OC)cc2C1Cc1ccccc1
InChIInChI=1S/C26H28O2/c1-3-23-24(19-9-12-21(27)13-10-19)16-20-11-14-22(28-2)17-25(20)26(23)15-18-7-5-4-6-8-18/h4-14,17,23-24,26-27H,3,15-16H2,1-2H3
InChIKeyLKEGYDGIAWWBDY-UHFFFAOYSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol with MolForge

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Related Compounds

7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59498589
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol
CID 59016543
6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59498609
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
ethyl N-[(1-benzyl-6-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]carbamate
CID 174697880
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 59498611
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol?
The IUPAC name of 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol (CID 70854583) is 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol.
What is the SMILES notation for 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol?
The canonical SMILES for 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol is CCC1C(c2ccc(O)cc2)Cc2ccc(OC)cc2C1Cc1ccccc1.
What is the InChIKey of 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol?
The InChIKey is LKEGYDGIAWWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-3-23-24(19-9-12-21(27)13-10-19)16-20-11-14-22(28-2)17-25(20)26(23)15-18-7-5-4-6-8-18/h4-14,17,23-24,26-27H,3,15-16H2,1-2H3.
What are the key properties of 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol?
4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol has a molecular weight of 372.51 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol is sourced from PubChem (CID 70854583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).