chloro-(4-methoxyphenyl)methanol

C8H9ClO2 — CID 130923369

IUPACchloro-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)Cl)cc1
InChIInChI=1S/C8H9ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,1H3
InChIKeyUCZOUSYSDDKJLK-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.92
Rot. Bonds2

About chloro-(4-methoxyphenyl)methanol

chloro-(4-methoxyphenyl)methanol (PubChem CID 130923369) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is chloro-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Namechloro-(4-methoxyphenyl)methanol
PubChem CID130923369
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Namechloro-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)Cl)cc1
InChIInChI=1S/C8H9ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,1H3
InChIKeyUCZOUSYSDDKJLK-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-(4-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
CID 175713586
CID 175713586
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
(4-methoxyphenyl)methanediol;titanium;bis(titanium(3+));dihydrate
CID 139244940
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456

Frequently Asked Questions

What is the IUPAC name of chloro-(4-methoxyphenyl)methanol?
The IUPAC name of chloro-(4-methoxyphenyl)methanol (CID 130923369) is chloro-(4-methoxyphenyl)methanol.
What is the SMILES notation for chloro-(4-methoxyphenyl)methanol?
The canonical SMILES for chloro-(4-methoxyphenyl)methanol is COc1ccc(C(O)Cl)cc1.
What is the InChIKey of chloro-(4-methoxyphenyl)methanol?
The InChIKey is UCZOUSYSDDKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,1H3.
What are the key properties of chloro-(4-methoxyphenyl)methanol?
chloro-(4-methoxyphenyl)methanol has a molecular weight of 172.61 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-methoxyphenyl)methanol is sourced from PubChem (CID 130923369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).