(4-chloro-3-phenylmethoxyphenyl)methanol

C14H13ClO2 — CID 66724752

IUPAC(4-chloro-3-phenylmethoxyphenyl)methanol
SMILESOCc1ccc(Cl)c(OCc2ccccc2)c1
InChIInChI=1S/C14H13ClO2/c15-13-7-6-12(9-16)8-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2
InChIKeyDSCLGUOZUJLVGV-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.41
Rot. Bonds4

About (4-chloro-3-phenylmethoxyphenyl)methanol

(4-chloro-3-phenylmethoxyphenyl)methanol (PubChem CID 66724752) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is (4-chloro-3-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-phenylmethoxyphenyl)methanol
PubChem CID66724752
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name(4-chloro-3-phenylmethoxyphenyl)methanol
SMILESOCc1ccc(Cl)c(OCc2ccccc2)c1
InChIInChI=1S/C14H13ClO2/c15-13-7-6-12(9-16)8-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2
InChIKeyDSCLGUOZUJLVGV-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
CID 70333908
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
CID 159469456
[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
CID 5245459
4-chloro-3-[(4-fluorophenyl)methoxy]phenol
CID 155746244
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-phenylmethoxyphenyl)methanol?
The IUPAC name of (4-chloro-3-phenylmethoxyphenyl)methanol (CID 66724752) is (4-chloro-3-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-3-phenylmethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-3-phenylmethoxyphenyl)methanol is OCc1ccc(Cl)c(OCc2ccccc2)c1.
What is the InChIKey of (4-chloro-3-phenylmethoxyphenyl)methanol?
The InChIKey is DSCLGUOZUJLVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c15-13-7-6-12(9-16)8-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2.
What are the key properties of (4-chloro-3-phenylmethoxyphenyl)methanol?
(4-chloro-3-phenylmethoxyphenyl)methanol has a molecular weight of 248.71 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 66724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).