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

C16H17ClO4 — CID 63895830

IUPAC(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C16H17ClO4/c1-19-13-9-15(21-3)14(20-2)8-11(13)16(18)10-6-4-5-7-12(10)17/h4-9,16,18H,1-3H3
InChIKeyMKFZZXPQKWPIND-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.45
Rot. Bonds5

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

(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 63895830) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
PubChem CID63895830
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C16H17ClO4/c1-19-13-9-15(21-3)14(20-2)8-11(13)16(18)10-6-4-5-7-12(10)17/h4-9,16,18H,1-3H3
InChIKeyMKFZZXPQKWPIND-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

(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61099199
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68566152

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol (CID 63895830) is (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2ccccc2Cl)cc1OC.
What is the InChIKey of (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is MKFZZXPQKWPIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-19-13-9-15(21-3)14(20-2)8-11(13)16(18)10-6-4-5-7-12(10)17/h4-9,16,18H,1-3H3.
What are the key properties of (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
(2-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 (2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 63895830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).