(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C16H21ClO — CID 107559711

IUPAC(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H21ClO/c1-10-6-11(2)8-14(7-10)16(18)13-5-4-12(3)15(17)9-13/h4-6,9-10,14,16,18H,7-8H2,1-3H3
InChIKeyFPFMWBAXNURTRJ-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.67
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol

(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 107559711) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID107559711
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H21ClO/c1-10-6-11(2)8-14(7-10)16(18)13-5-4-12(3)15(17)9-13/h4-6,9-10,14,16,18H,7-8H2,1-3H3
InChIKeyFPFMWBAXNURTRJ-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 107560051
(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
CID 103277579
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277476
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103277723
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 106818099
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 107559711) is (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CC1=CC(C)CC(C(O)c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is FPFMWBAXNURTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-10-6-11(2)8-14(7-10)16(18)13-5-4-12(3)15(17)9-13/h4-6,9-10,14,16,18H,7-8H2,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 264.80 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 107559711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).