1-[4-(chloromethyl)phenyl]ethanol

C9H11ClO — CID 12600511

IUPAC1-[4-(chloromethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CCl)cc1
InChIInChI=1S/C9H11ClO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyIMYRNVBKJGQWQX-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.48
Rot. Bonds2

About 1-[4-(chloromethyl)phenyl]ethanol

1-[4-(chloromethyl)phenyl]ethanol (PubChem CID 12600511) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenyl]ethanol
PubChem CID12600511
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name1-[4-(chloromethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CCl)cc1
InChIInChI=1S/C9H11ClO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyIMYRNVBKJGQWQX-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
1-[4-(chloromethyl)phenyl]propan-1-ol
CID 18423117
1-[4-(bromomethyl)phenyl]ethanol
CID 90882765
1-[4-(chloromethyl)phenyl]ethane-1,2-diol
CID 88977117
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
1-(1-chloroethyl)-4-(2-methylpropyl)benzene;1-[4-(2-methylpropyl)phenyl]ethanol;hydrochloride
CID 159111103
1-(chloromethyl)-4-pentan-2-ylbenzene
CID 19353579
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
[4-[(1R)-1-hydroxyethyl]phenyl]methanesulfinic acid
CID 174622777
1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol
CID 132942621
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenyl]ethanol?
The IUPAC name of 1-[4-(chloromethyl)phenyl]ethanol (CID 12600511) is 1-[4-(chloromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(chloromethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(chloromethyl)phenyl]ethanol is CC(O)c1ccc(CCl)cc1.
What is the InChIKey of 1-[4-(chloromethyl)phenyl]ethanol?
The InChIKey is IMYRNVBKJGQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-[4-(chloromethyl)phenyl]ethanol?
1-[4-(chloromethyl)phenyl]ethanol has a molecular weight of 170.64 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenyl]ethanol is sourced from PubChem (CID 12600511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).