(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol

C18H22O5 — CID 129391240

IUPAC(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc([C@H](O)c2cc(OC)cc(OC)c2)ccc1OC
InChIInChI=1S/C18H22O5/c1-5-23-17-10-12(6-7-16(17)22-4)18(19)13-8-14(20-2)11-15(9-13)21-3/h6-11,18-19H,5H2,1-4H3/t18-/m0/s1
InChIKeyHJQPFUZLJPKKDC-SFHVURJKSA-N
MW318.37 g/mol
LogP3.19
Rot. Bonds7

About (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol

(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol (PubChem CID 129391240) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
PubChem CID129391240
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc([C@H](O)c2cc(OC)cc(OC)c2)ccc1OC
InChIInChI=1S/C18H22O5/c1-5-23-17-10-12(6-7-16(17)22-4)18(19)13-8-14(20-2)11-15(9-13)21-3/h6-11,18-19H,5H2,1-4H3/t18-/m0/s1
InChIKeyHJQPFUZLJPKKDC-SFHVURJKSA-N
XLogP3.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
CID 69205838
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
(R)-[3,4-bis(difluoromethoxy)phenyl]-(3,5-dimethoxyphenyl)methanol
CID 129391775
1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol
CID 141140451
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266

Frequently Asked Questions

What is the IUPAC name of (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol?
The IUPAC name of (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol (CID 129391240) is (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol?
The canonical SMILES for (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol is CCOc1cc([C@H](O)c2cc(OC)cc(OC)c2)ccc1OC.
What is the InChIKey of (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol?
The InChIKey is HJQPFUZLJPKKDC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22O5/c1-5-23-17-10-12(6-7-16(17)22-4)18(19)13-8-14(20-2)11-15(9-13)21-3/h6-11,18-19H,5H2,1-4H3/t18-/m0/s1.
What are the key properties of (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol?
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol has a molecular weight of 318.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 129391240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).