[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol

C14H11Cl2FO2 — CID 893259

IUPAC[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2
InChIKeyZYHXLPXIIVKBEE-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.20
Rot. Bonds4

About [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol

[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 893259) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
PubChem CID893259
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2
InChIKeyZYHXLPXIIVKBEE-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
(NZ)-N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968463
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 60800740
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126204543
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 91686030
3-[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4687135
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
[3,5-dichloro-4-(4-fluorophenyl)phenyl]methanol
CID 66764611
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
CID 105372054

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol (CID 893259) is [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol is OCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is ZYHXLPXIIVKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2.
What are the key properties of [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 301.14 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 893259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).