4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol

C14H15ClO2 — CID 21161609

IUPAC4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)C1(O)C=CC=CC1Cl
InChIInChI=1S/C14H15ClO2/c1-10(11-5-7-12(16)8-6-11)14(17)9-3-2-4-13(14)15/h2-10,13,16-17H,1H3
InChIKeyIAEAFJXKTBQKES-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.96
Rot. Bonds2

About 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol

4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol (PubChem CID 21161609) has the molecular formula C14H15ClO2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol
PubChem CID21161609
Molecular FormulaC14H15ClO2
Molecular Weight250.73 g/mol
Exact Mass250.08
IUPAC Name4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)C1(O)C=CC=CC1Cl
InChIInChI=1S/C14H15ClO2/c1-10(11-5-7-12(16)8-6-11)14(17)9-3-2-4-13(14)15/h2-10,13,16-17H,1H3
InChIKeyIAEAFJXKTBQKES-UHFFFAOYSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol (CID 21161609) is 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol is CC(c1ccc(O)cc1)C1(O)C=CC=CC1Cl.
What is the InChIKey of 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol?
The InChIKey is IAEAFJXKTBQKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-10(11-5-7-12(16)8-6-11)14(17)9-3-2-4-13(14)15/h2-10,13,16-17H,1H3.
What are the key properties of 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol?
4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol has a molecular weight of 250.73 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-1-hydroxycyclohexa-2,4-dien-1-yl)ethyl]phenol is sourced from PubChem (CID 21161609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).