bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol

C31H28O5 — CID 70908148

IUPACbis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
SMILESCOc1cc2cccc(OC)c2cc1C(O)(c1ccccc1)c1cc2c(OC)cccc2cc1OC
InChIInChI=1S/C31H28O5/c1-33-27-14-8-10-20-16-29(35-3)25(18-23(20)27)31(32,22-12-6-5-7-13-22)26-19-24-21(17-30(26)36-4)11-9-15-28(24)34-2/h5-19,32H,1-4H3
InChIKeyHYZQPPQFHYOKOT-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.31
Rot. Bonds7

About bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol

bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol (PubChem CID 70908148) has the molecular formula C31H28O5 and a molecular weight of 480.56 g/mol. Its IUPAC name is bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol.

Molecular Properties

Compound Namebis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
PubChem CID70908148
Molecular FormulaC31H28O5
Molecular Weight480.56 g/mol
Exact Mass480.19
IUPAC Namebis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
SMILESCOc1cc2cccc(OC)c2cc1C(O)(c1ccccc1)c1cc2c(OC)cccc2cc1OC
InChIInChI=1S/C31H28O5/c1-33-27-14-8-10-20-16-29(35-3)25(18-23(20)27)31(32,22-12-6-5-7-13-22)26-19-24-21(17-30(26)36-4)11-9-15-28(24)34-2/h5-19,32H,1-4H3
InChIKeyHYZQPPQFHYOKOT-UHFFFAOYSA-N
XLogP6.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxynaphthalen-2-yl)-diphenylmethanol
CID 135034011
(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
CID 70908135
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
methanol;1-methoxynaphthalene;neptunium
CID 157299455
7-methoxy-5,12-dihydrotetracene
CID 134205558
1-anthracen-1-yl-1-phenylethanol
CID 2793943
[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
CID 67379044
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935

Frequently Asked Questions

What is the IUPAC name of bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol?
The IUPAC name of bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol (CID 70908148) is bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol.
What is the SMILES notation for bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol?
The canonical SMILES for bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol is COc1cc2cccc(OC)c2cc1C(O)(c1ccccc1)c1cc2c(OC)cccc2cc1OC.
What is the InChIKey of bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol?
The InChIKey is HYZQPPQFHYOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O5/c1-33-27-14-8-10-20-16-29(35-3)25(18-23(20)27)31(32,22-12-6-5-7-13-22)26-19-24-21(17-30(26)36-4)11-9-15-28(24)34-2/h5-19,32H,1-4H3.
What are the key properties of bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol?
bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol has a molecular weight of 480.56 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol is sourced from PubChem (CID 70908148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).