(5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol

C7H9ClO — CID 88993878

IUPAC(5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol
SMILESC[C@@H]1CC(O)=CC=C1Cl
InChIInChI=1S/C7H9ClO/c1-5-4-6(9)2-3-7(5)8/h2-3,5,9H,4H2,1H3/t5-/m1/s1
InChIKeyGAUVTYCTNIOJPN-RXMQYKEDSA-N
MW144.60 g/mol
LogP2.59
Rot. Bonds

About (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol

(5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 88993878) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID88993878
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name(5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol
SMILESC[C@@H]1CC(O)=CC=C1Cl
InChIInChI=1S/C7H9ClO/c1-5-4-6(9)2-3-7(5)8/h2-3,5,9H,4H2,1H3/t5-/m1/s1
InChIKeyGAUVTYCTNIOJPN-RXMQYKEDSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol (CID 88993878) is (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol is C[C@@H]1CC(O)=CC=C1Cl.
What is the InChIKey of (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is GAUVTYCTNIOJPN-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9ClO/c1-5-4-6(9)2-3-7(5)8/h2-3,5,9H,4H2,1H3/t5-/m1/s1.
What are the key properties of (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol?
(5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 144.60 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-chloro-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 88993878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).