4-chloro-2-methoxycyclohexa-1,3-dien-1-ol

C7H9ClO2 — CID 153377966

IUPAC4-chloro-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)CCC(Cl)=C1
InChIInChI=1S/C7H9ClO2/c1-10-7-4-5(8)2-3-6(7)9/h4,9H,2-3H2,1H3
InChIKeyJWMDJDCMXFZEAD-UHFFFAOYSA-N
MW160.60 g/mol
LogP2.32
Rot. Bonds1

About 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol

4-chloro-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 153377966) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-chloro-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID153377966
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name4-chloro-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)CCC(Cl)=C1
InChIInChI=1S/C7H9ClO2/c1-10-7-4-5(8)2-3-6(7)9/h4,9H,2-3H2,1H3
InChIKeyJWMDJDCMXFZEAD-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-bromo-5-chlorocyclohexa-1,5-diene-1-carboxylate
CID 153339864
tert-butyl N-(4-hydroxy-2-methoxycyclohexa-1,3-dien-1-yl)-N-methylcarbamate
CID 170407911
1-chloro-4-methoxy-2-methylcyclohexa-1,3-diene
CID 130216991
5-chloro-4-hydroxy-3,5-dimethoxycyclohexa-1,3-diene-1-carboxylic acid
CID 141006601
2-bromo-5-methoxycyclohexa-1,5-dien-1-ol
CID 147072342
3-amino-2-chloro-6-methoxyphenol
CID 45120120
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
3-amino-4-chloro-5-methoxyphenol
CID 118029335
3-methoxy-2-methyl-5-propylbicyclo[4.1.0]hepta-2,4-diene
CID 170792133
4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol
CID 143297281
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
2-chloro-1-ethyl-4-methoxycyclohexa-1,3-diene
CID 142915949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol (CID 153377966) is 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol is COC1=C(O)CCC(Cl)=C1.
What is the InChIKey of 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is JWMDJDCMXFZEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-10-7-4-5(8)2-3-6(7)9/h4,9H,2-3H2,1H3.
What are the key properties of 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol?
4-chloro-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 160.60 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 153377966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).