2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene

C30H32O8 — CID 160701879

IUPAC2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene
SMILESCOc1c(O)cc(-c2ccccc2)c(O)c1OC.COc1ccc(OC)c(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C16H18O4.C14H14O4/c1-17-12-6-8-14(18-2)13(10-12)11-5-7-15(19-3)16(9-11)20-4;1-17-13-11(15)8-10(12(16)14(13)18-2)9-6-4-3-5-7-9/h5-10H,1-4H3;3-8,15-16H,1-2H3
InChIKeyRQSLRTMZECPDJQ-UHFFFAOYSA-N
MW520.58 g/mol
LogP6.17
Rot. Bonds8

About 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene

2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene (PubChem CID 160701879) has the molecular formula C30H32O8 and a molecular weight of 520.58 g/mol. Its IUPAC name is 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene
PubChem CID160701879
Molecular FormulaC30H32O8
Molecular Weight520.58 g/mol
Exact Mass520.21
IUPAC Name2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene
SMILESCOc1c(O)cc(-c2ccccc2)c(O)c1OC.COc1ccc(OC)c(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C16H18O4.C14H14O4/c1-17-12-6-8-14(18-2)13(10-12)11-5-7-15(19-3)16(9-11)20-4;1-17-13-11(15)8-10(12(16)14(13)18-2)9-6-4-3-5-7-9/h5-10H,1-4H3;3-8,15-16H,1-2H3
InChIKeyRQSLRTMZECPDJQ-UHFFFAOYSA-N
XLogP6.17
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
2,3-dimethoxy-5-phenylphenol
CID 135042969
4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
CID 45488367
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
3,4-dichloro-2-methoxy-5-phenylphenol
CID 133083818

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene?
The IUPAC name of 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene (CID 160701879) is 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene is COc1c(O)cc(-c2ccccc2)c(O)c1OC.COc1ccc(OC)c(-c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene?
The InChIKey is RQSLRTMZECPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4.C14H14O4/c1-17-12-6-8-14(18-2)13(10-12)11-5-7-15(19-3)16(9-11)20-4;1-17-13-11(15)8-10(12(16)14(13)18-2)9-6-4-3-5-7-9/h5-10H,1-4H3;3-8,15-16H,1-2H3.
What are the key properties of 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene?
2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene has a molecular weight of 520.58 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 160701879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).