(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol

C27H26O5 — CID 70908135

IUPAC(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
SMILESCOc1ccc(C(O)(c2ccccc2)c2cc3ccc(OC)cc3cc2OC)c(OC)c1
InChIInChI=1S/C27H26O5/c1-29-21-11-10-18-15-24(25(31-3)16-19(18)14-21)27(28,20-8-6-5-7-9-20)23-13-12-22(30-2)17-26(23)32-4/h5-17,28H,1-4H3
InChIKeySEPXCVDYMMLXFK-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.16
Rot. Bonds7

About (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol

(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol (PubChem CID 70908135) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol.

Molecular Properties

Compound Name(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
PubChem CID70908135
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
SMILESCOc1ccc(C(O)(c2ccccc2)c2cc3ccc(OC)cc3cc2OC)c(OC)c1
InChIInChI=1S/C27H26O5/c1-29-21-11-10-18-15-24(25(31-3)16-19(18)14-21)27(28,20-8-6-5-7-9-20)23-13-12-22(30-2)17-26(23)32-4/h5-17,28H,1-4H3
InChIKeySEPXCVDYMMLXFK-UHFFFAOYSA-N
XLogP5.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.16
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

bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
(3-methoxynaphthalen-2-yl)-diphenylmethanol
CID 135034011
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
CID 70908148
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol?
The IUPAC name of (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol (CID 70908135) is (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol.
What is the SMILES notation for (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol?
The canonical SMILES for (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol is COc1ccc(C(O)(c2ccccc2)c2cc3ccc(OC)cc3cc2OC)c(OC)c1.
What is the InChIKey of (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol?
The InChIKey is SEPXCVDYMMLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O5/c1-29-21-11-10-18-15-24(25(31-3)16-19(18)14-21)27(28,20-8-6-5-7-9-20)23-13-12-22(30-2)17-26(23)32-4/h5-17,28H,1-4H3.
What are the key properties of (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol?
(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol has a molecular weight of 430.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol is sourced from PubChem (CID 70908135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).