chloro-(3-ethoxyphenyl)methanol

C9H11ClO2 — CID 141156919

IUPACchloro-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)Cl)c1
InChIInChI=1S/C9H11ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,9,11H,2H2,1H3
InChIKeyAVJOMCNAQJJOGJ-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.32
Rot. Bonds3

About chloro-(3-ethoxyphenyl)methanol

chloro-(3-ethoxyphenyl)methanol (PubChem CID 141156919) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is chloro-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Namechloro-(3-ethoxyphenyl)methanol
PubChem CID141156919
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Namechloro-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)Cl)c1
InChIInChI=1S/C9H11ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,9,11H,2H2,1H3
InChIKeyAVJOMCNAQJJOGJ-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.32
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

1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(3-ethoxyphenyl)-quinoxalin-5-ylmethanol
CID 105119584
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833

Frequently Asked Questions

What is the IUPAC name of chloro-(3-ethoxyphenyl)methanol?
The IUPAC name of chloro-(3-ethoxyphenyl)methanol (CID 141156919) is chloro-(3-ethoxyphenyl)methanol.
What is the SMILES notation for chloro-(3-ethoxyphenyl)methanol?
The canonical SMILES for chloro-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)Cl)c1.
What is the InChIKey of chloro-(3-ethoxyphenyl)methanol?
The InChIKey is AVJOMCNAQJJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,9,11H,2H2,1H3.
What are the key properties of chloro-(3-ethoxyphenyl)methanol?
chloro-(3-ethoxyphenyl)methanol has a molecular weight of 186.64 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 141156919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).