[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol

C14H13ClO3 — CID 114067626

IUPAC[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2c(Cl)cccc2CO)cc1
InChIInChI=1S/C14H13ClO3/c15-13-3-1-2-11(9-17)14(13)18-12-6-4-10(8-16)5-7-12/h1-7,16-17H,8-9H2
InChIKeyNXKXLSVCTUCJHX-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.12
Rot. Bonds4

About [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol

[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol (PubChem CID 114067626) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
PubChem CID114067626
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2c(Cl)cccc2CO)cc1
InChIInChI=1S/C14H13ClO3/c15-13-3-1-2-11(9-17)14(13)18-12-6-4-10(8-16)5-7-12/h1-7,16-17H,8-9H2
InChIKeyNXKXLSVCTUCJHX-UHFFFAOYSA-N
XLogP3.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(aminomethyl)-6-chlorophenoxy]phenyl]methanol
CID 114069405
[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
CID 114067610
[3-chloro-2-(3,5-dichlorophenoxy)phenyl]methanol
CID 114067624
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983
2-[4-[2-(bromomethyl)-6-chlorophenoxy]phenyl]acetonitrile
CID 114067965
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
[3-chloro-2-(4-iodophenoxy)phenyl]methanamine
CID 114069346
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanol
CID 63586509
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol?
The IUPAC name of [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol (CID 114067626) is [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol is OCc1ccc(Oc2c(Cl)cccc2CO)cc1.
What is the InChIKey of [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol?
The InChIKey is NXKXLSVCTUCJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-13-3-1-2-11(9-17)14(13)18-12-6-4-10(8-16)5-7-12/h1-7,16-17H,8-9H2.
What are the key properties of [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol?
[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol has a molecular weight of 264.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 114067626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).