2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene

C30H24O — CID 54231735

IUPAC2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
SMILESCOc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H24O/c1-31-29-18-10-17-27(22-29)30(25-13-4-2-5-14-25,26-15-6-3-7-16-26)28-20-19-23-11-8-9-12-24(23)21-28/h2-22H,1H3
InChIKeyQJTOOSOBWOCPMH-UHFFFAOYSA-N
MW400.52 g/mol
LogP7.23
Rot. Bonds5

About 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene

2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene (PubChem CID 54231735) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
PubChem CID54231735
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
SMILESCOc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H24O/c1-31-29-18-10-17-27(22-29)30(25-13-4-2-5-14-25,26-15-6-3-7-16-26)28-20-19-23-11-8-9-12-24(23)21-28/h2-22H,1H3
InChIKeyQJTOOSOBWOCPMH-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807936
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene?
The IUPAC name of 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene (CID 54231735) is 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene.
What is the SMILES notation for 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene?
The canonical SMILES for 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene is COc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene?
The InChIKey is QJTOOSOBWOCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c1-31-29-18-10-17-27(22-29)30(25-13-4-2-5-14-25,26-15-6-3-7-16-26)28-20-19-23-11-8-9-12-24(23)21-28/h2-22H,1H3.
What are the key properties of 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene?
2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene has a molecular weight of 400.52 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene is sourced from PubChem (CID 54231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).