4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol

C23H29NO2 — CID 23440916

IUPAC4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
SMILESCOc1ccc2c(c1)CCN(C1CCCCC1)C2Cc1ccc(O)cc1
InChIInChI=1S/C23H29NO2/c1-26-21-11-12-22-18(16-21)13-14-24(19-5-3-2-4-6-19)23(22)15-17-7-9-20(25)10-8-17/h7-12,16,19,23,25H,2-6,13-15H2,1H3
InChIKeyRKIXHHMFTYTGOO-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.88
Rot. Bonds4

About 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol

4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol (PubChem CID 23440916) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
PubChem CID23440916
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
SMILESCOc1ccc2c(c1)CCN(C1CCCCC1)C2Cc1ccc(O)cc1
InChIInChI=1S/C23H29NO2/c1-26-21-11-12-22-18(16-21)13-14-24(19-5-3-2-4-6-19)23(22)15-17-7-9-20(25)10-8-17/h7-12,16,19,23,25H,2-6,13-15H2,1H3
InChIKeyRKIXHHMFTYTGOO-UHFFFAOYSA-N
XLogP4.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol with MolForge

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Related Compounds

6-methoxy-2-(oxan-4-yl)-1-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 23440849
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
(1R)-1-[[4-[4-[[(1R)-2-formyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 139479947
6-methoxy-2-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 22960586
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
3-[1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
CID 123548294
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 10065000
2-methoxy-5-[[(1S)-6-methoxy-2-[(2R)-2-methylbutyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
CID 70805538
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
4-[(7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
CID 11666529
2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 69311695
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
The IUPAC name of 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol (CID 23440916) is 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol is COc1ccc2c(c1)CCN(C1CCCCC1)C2Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
The InChIKey is RKIXHHMFTYTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-26-21-11-12-22-18(16-21)13-14-24(19-5-3-2-4-6-19)23(22)15-17-7-9-20(25)10-8-17/h7-12,16,19,23,25H,2-6,13-15H2,1H3.
What are the key properties of 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol has a molecular weight of 351.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol is sourced from PubChem (CID 23440916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).