(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol

C14H18Cl2O — CID 106828313

IUPAC(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C14H18Cl2O/c1-14(7-3-2-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13,17H,2-4,7-8H2,1H3
InChIKeyNFDWUJSNAIOWNT-UHFFFAOYSA-N
MW273.20 g/mol
LogP5.00
Rot. Bonds2

About (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol

(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol (PubChem CID 106828313) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
PubChem CID106828313
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C14H18Cl2O/c1-14(7-3-2-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13,17H,2-4,7-8H2,1H3
InChIKeyNFDWUJSNAIOWNT-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[bromo-(1-methylcyclohexyl)methyl]-1,4-dichlorobenzene
CID 106828529
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610351
(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828309
1-[(2,5-dichlorophenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 114076318
(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828351
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine
CID 80685344
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
[(2,5-dichlorophenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253423
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79062523

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol (CID 106828313) is (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol is CC1(C(O)c2cc(Cl)ccc2Cl)CCCCC1.
What is the InChIKey of (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol?
The InChIKey is NFDWUJSNAIOWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-14(7-3-2-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13,17H,2-4,7-8H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol?
(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol has a molecular weight of 273.20 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).