2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol

C31H38O3 — CID 70448004

IUPAC2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol
SMILESCOc1ccc(C2CCc3cc(OC)ccc3C2CCCCCc2ccc(CCO)cc2)cc1
InChIInChI=1S/C31H38O3/c1-33-27-15-12-25(13-16-27)29-18-14-26-22-28(34-2)17-19-30(26)31(29)7-5-3-4-6-23-8-10-24(11-9-23)20-21-32/h8-13,15-17,19,22,29,31-32H,3-7,14,18,20-21H2,1-2H3
InChIKeyACWLKJJIRRKBBF-UHFFFAOYSA-N
MW458.64 g/mol
LogP6.86
Rot. Bonds11

About 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol

2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol (PubChem CID 70448004) has the molecular formula C31H38O3 and a molecular weight of 458.64 g/mol. Its IUPAC name is 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol
PubChem CID70448004
Molecular FormulaC31H38O3
Molecular Weight458.64 g/mol
Exact Mass458.28
IUPAC Name2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol
SMILESCOc1ccc(C2CCc3cc(OC)ccc3C2CCCCCc2ccc(CCO)cc2)cc1
InChIInChI=1S/C31H38O3/c1-33-27-15-12-25(13-16-27)29-18-14-26-22-28(34-2)17-19-30(26)31(29)7-5-3-4-6-23-8-10-24(11-9-23)20-21-32/h8-13,15-17,19,22,29,31-32H,3-7,14,18,20-21H2,1-2H3
InChIKeyACWLKJJIRRKBBF-UHFFFAOYSA-N
XLogP6.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.64
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol with MolForge

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Related Compounds

2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]acetic acid
CID 19830764
6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 88671274
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572
N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine
CID 139336500
7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 19793364
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide
CID 70149469
9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine
CID 91219902
(5R)-8-methoxy-3-[4-(4-methylphenyl)butyl]-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 151514634
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol (CID 70448004) is 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol is COc1ccc(C2CCc3cc(OC)ccc3C2CCCCCc2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol?
The InChIKey is ACWLKJJIRRKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O3/c1-33-27-15-12-25(13-16-27)29-18-14-26-22-28(34-2)17-19-30(26)31(29)7-5-3-4-6-23-8-10-24(11-9-23)20-21-32/h8-13,15-17,19,22,29,31-32H,3-7,14,18,20-21H2,1-2H3.
What are the key properties of 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol?
2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol has a molecular weight of 458.64 g/mol, XLogP of 6.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]ethanol is sourced from PubChem (CID 70448004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).