[3-[dichloro(phenyl)methoxy]phenyl]methanol

C14H12Cl2O2 — CID 91444161

IUPAC[3-[dichloro(phenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(OC(Cl)(Cl)c2ccccc2)c1
InChIInChI=1S/C14H12Cl2O2/c15-14(16,12-6-2-1-3-7-12)18-13-8-4-5-11(9-13)10-17/h1-9,17H,10H2
InChIKeyFBPLWKCRARCOLI-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.85
Rot. Bonds4

About [3-[dichloro(phenyl)methoxy]phenyl]methanol

[3-[dichloro(phenyl)methoxy]phenyl]methanol (PubChem CID 91444161) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is [3-[dichloro(phenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[dichloro(phenyl)methoxy]phenyl]methanol
PubChem CID91444161
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name[3-[dichloro(phenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(OC(Cl)(Cl)c2ccccc2)c1
InChIInChI=1S/C14H12Cl2O2/c15-14(16,12-6-2-1-3-7-12)18-13-8-4-5-11(9-13)10-17/h1-9,17H,10H2
InChIKeyFBPLWKCRARCOLI-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
[3-[difluoro-(2-fluorophenyl)methoxy]phenyl]methanol
CID 91224269
phenylmethanol;tetrachloromethane
CID 174952839
(3-methoxyphenyl)(113C)methanol
CID 11593446
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
CID 69488903
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
(3-cyclopropyloxyphenyl)methanol
CID 57336629

Frequently Asked Questions

What is the IUPAC name of [3-[dichloro(phenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-[dichloro(phenyl)methoxy]phenyl]methanol (CID 91444161) is [3-[dichloro(phenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-[dichloro(phenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-[dichloro(phenyl)methoxy]phenyl]methanol is OCc1cccc(OC(Cl)(Cl)c2ccccc2)c1.
What is the InChIKey of [3-[dichloro(phenyl)methoxy]phenyl]methanol?
The InChIKey is FBPLWKCRARCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c15-14(16,12-6-2-1-3-7-12)18-13-8-4-5-11(9-13)10-17/h1-9,17H,10H2.
What are the key properties of [3-[dichloro(phenyl)methoxy]phenyl]methanol?
[3-[dichloro(phenyl)methoxy]phenyl]methanol has a molecular weight of 283.15 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dichloro(phenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 91444161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).