bis(4-methoxyphenyl)-naphthalen-2-ylmethanol

C25H22O3 — CID 23069554

IUPACbis(4-methoxyphenyl)-naphthalen-2-ylmethanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H22O3/c1-27-23-13-9-20(10-14-23)25(26,21-11-15-24(28-2)16-12-21)22-8-7-18-5-3-4-6-19(18)17-22/h3-17,26H,1-2H3
InChIKeyVVRPENAPJHQUAP-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.14
Rot. Bonds5

About bis(4-methoxyphenyl)-naphthalen-2-ylmethanol

bis(4-methoxyphenyl)-naphthalen-2-ylmethanol (PubChem CID 23069554) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-naphthalen-2-ylmethanol
PubChem CID23069554
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Namebis(4-methoxyphenyl)-naphthalen-2-ylmethanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H22O3/c1-27-23-13-9-20(10-14-23)25(26,21-11-15-24(28-2)16-12-21)22-8-7-18-5-3-4-6-19(18)17-22/h3-17,26H,1-2H3
InChIKeyVVRPENAPJHQUAP-UHFFFAOYSA-N
XLogP5.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trinaphthalen-2-ylmethanol
CID 10573628
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
1H-indol-2-yl-bis(4-methoxyphenyl)methanol
CID 172743573
2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 23091475
[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
CID 15883905
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
CID 54231735
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-naphthalen-2-ylmethanol?
The IUPAC name of bis(4-methoxyphenyl)-naphthalen-2-ylmethanol (CID 23069554) is bis(4-methoxyphenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for bis(4-methoxyphenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for bis(4-methoxyphenyl)-naphthalen-2-ylmethanol is COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-naphthalen-2-ylmethanol?
The InChIKey is VVRPENAPJHQUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c1-27-23-13-9-20(10-14-23)25(26,21-11-15-24(28-2)16-12-21)22-8-7-18-5-3-4-6-19(18)17-22/h3-17,26H,1-2H3.
What are the key properties of bis(4-methoxyphenyl)-naphthalen-2-ylmethanol?
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol has a molecular weight of 370.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 23069554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).