2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol

C18H27ClO2 — CID 65147543

IUPAC2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C18H27ClO2/c1-17(2,3)16-7-5-6-10-18(16,20)12-13-11-14(19)8-9-15(13)21-4/h8-9,11,16,20H,5-7,10,12H2,1-4H3
InChIKeyKGPJCYCISJNBSQ-UHFFFAOYSA-N
MW310.86 g/mol
LogP4.86
Rot. Bonds3

About 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol

2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 65147543) has the molecular formula C18H27ClO2 and a molecular weight of 310.86 g/mol. Its IUPAC name is 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID65147543
Molecular FormulaC18H27ClO2
Molecular Weight310.86 g/mol
Exact Mass310.17
IUPAC Name2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C18H27ClO2/c1-17(2,3)16-7-5-6-10-18(16,20)12-13-11-14(19)8-9-15(13)21-4/h8-9,11,16,20H,5-7,10,12H2,1-4H3
InChIKeyKGPJCYCISJNBSQ-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510368
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194491
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
CID 63406912

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol (CID 65147543) is 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol is COc1ccc(Cl)cc1CC1(O)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is KGPJCYCISJNBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClO2/c1-17(2,3)16-7-5-6-10-18(16,20)12-13-11-14(19)8-9-15(13)21-4/h8-9,11,16,20H,5-7,10,12H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol?
2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 310.86 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65147543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).