(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol

C16H17ClO4 — CID 61101584

IUPAC(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H17ClO4/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-4-6-11(17)7-5-10/h4-9,16,18H,1-3H3
InChIKeyHANZSTWEAUJCQD-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.45
Rot. Bonds5

About (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol

(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 61101584) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
PubChem CID61101584
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H17ClO4/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-4-6-11(17)7-5-10/h4-9,16,18H,1-3H3
InChIKeyHANZSTWEAUJCQD-UHFFFAOYSA-N
XLogP3.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol (CID 61101584) is (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is HANZSTWEAUJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-4-6-11(17)7-5-10/h4-9,16,18H,1-3H3.
What are the key properties of (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol has a molecular weight of 308.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 61101584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).