(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol

C22H26O5 — CID 118987418

IUPAC(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc(C2=CCCC2C(O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3
InChIKeyXDCYNRVIPBLCOB-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.25
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol

(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol (PubChem CID 118987418) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol
PubChem CID118987418
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc(C2=CCCC2C(O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3
InChIKeyXDCYNRVIPBLCOB-UHFFFAOYSA-N
XLogP4.25
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114621967
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 79973193
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol (CID 118987418) is (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol is COc1ccc(C2=CCCC2C(O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is XDCYNRVIPBLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol?
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol has a molecular weight of 370.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 118987418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).