(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol

C14H11Cl2FO2 — CID 81284055

IUPAC(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C14H11Cl2FO2/c1-19-13-7-9(3-5-12(13)17)14(18)8-2-4-10(15)11(16)6-8/h2-7,14,18H,1H3
InChIKeyWRTCMSBYAIHGAN-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.22
Rot. Bonds3

About (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol

(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 81284055) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID81284055
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C14H11Cl2FO2/c1-19-13-7-9(3-5-12(13)17)14(18)8-2-4-10(15)11(16)6-8/h2-7,14,18H,1H3
InChIKeyWRTCMSBYAIHGAN-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 164892453

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol (CID 81284055) is (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(Cl)c(Cl)c2)ccc1F.
What is the InChIKey of (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is WRTCMSBYAIHGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c1-19-13-7-9(3-5-12(13)17)14(18)8-2-4-10(15)11(16)6-8/h2-7,14,18H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 301.14 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 81284055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).