(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol

C17H27ClO3 — CID 142848793

IUPAC(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol
SMILESC=O.CO.Cc1cc(Cl)cc(C(O)C2(C)CCCCC2)c1
InChIInChI=1S/C15H21ClO.CH4O.CH2O/c1-11-8-12(10-13(16)9-11)14(17)15(2)6-4-3-5-7-15;2*1-2/h8-10,14,17H,3-7H2,1-2H3;2H,1H3;1H2
InChIKeyFSVGDZJHJIFLBW-UHFFFAOYSA-N
MW314.85 g/mol
LogP4.08
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol

(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol (PubChem CID 142848793) has the molecular formula C17H27ClO3 and a molecular weight of 314.85 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol
PubChem CID142848793
Molecular FormulaC17H27ClO3
Molecular Weight314.85 g/mol
Exact Mass314.16
IUPAC Name(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol
SMILESC=O.CO.Cc1cc(Cl)cc(C(O)C2(C)CCCCC2)c1
InChIInChI=1S/C15H21ClO.CH4O.CH2O/c1-11-8-12(10-13(16)9-11)14(17)15(2)6-4-3-5-7-15;2*1-2/h8-10,14,17H,3-7H2,1-2H3;2H,1H3;1H2
InChIKeyFSVGDZJHJIFLBW-UHFFFAOYSA-N
XLogP4.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
(3,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106830959
(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828351
(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313
(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828378
(3,5-dichlorophenyl)-(1-nitrocyclohexyl)methanol
CID 59713390
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
CID 106830809

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol (CID 142848793) is (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol is C=O.CO.Cc1cc(Cl)cc(C(O)C2(C)CCCCC2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol?
The InChIKey is FSVGDZJHJIFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO.CH4O.CH2O/c1-11-8-12(10-13(16)9-11)14(17)15(2)6-4-3-5-7-15;2*1-2/h8-10,14,17H,3-7H2,1-2H3;2H,1H3;1H2.
What are the key properties of (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol?
(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol has a molecular weight of 314.85 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol is sourced from PubChem (CID 142848793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).