1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene

C16H23ClO — CID 71582304

IUPAC1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene
SMILESCC1CCCC(C)(C)[C@@H]1COc1cccc(Cl)c1
InChIInChI=1S/C16H23ClO/c1-12-6-5-9-16(2,3)15(12)11-18-14-8-4-7-13(17)10-14/h4,7-8,10,12,15H,5-6,9,11H2,1-3H3/t12?,15-/m1/s1
InChIKeyLDZLSFAYMKWHID-WPZCJLIBSA-N
MW266.81 g/mol
LogP5.18
Rot. Bonds3

About 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene

1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene (PubChem CID 71582304) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene
PubChem CID71582304
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene
SMILESCC1CCCC(C)(C)[C@@H]1COc1cccc(Cl)c1
InChIInChI=1S/C16H23ClO/c1-12-6-5-9-16(2,3)15(12)11-18-14-8-4-7-13(17)10-14/h4,7-8,10,12,15H,5-6,9,11H2,1-3H3/t12?,15-/m1/s1
InChIKeyLDZLSFAYMKWHID-WPZCJLIBSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.81
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
CID 135276645
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
1-[[(1S,2R)-2-[(3-chlorophenoxy)methyl]cyclobutyl]methyl]pyrrolidine
CID 141428111
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenoxy)acetamide
CID 114303938
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
CID 82293207
6-(3-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847470

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene?
The IUPAC name of 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene (CID 71582304) is 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene?
The canonical SMILES for 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene is CC1CCCC(C)(C)[C@@H]1COc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene?
The InChIKey is LDZLSFAYMKWHID-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H23ClO/c1-12-6-5-9-16(2,3)15(12)11-18-14-8-4-7-13(17)10-14/h4,7-8,10,12,15H,5-6,9,11H2,1-3H3/t12?,15-/m1/s1.
What are the key properties of 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene?
1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene has a molecular weight of 266.81 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene is sourced from PubChem (CID 71582304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).