[1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol

C16H24O — CID 116928903

IUPAC[1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol
SMILESCc1cc(C(C)(C)C)ccc1CC1(CO)CC1
InChIInChI=1S/C16H24O/c1-12-9-14(15(2,3)4)6-5-13(12)10-16(11-17)7-8-16/h5-6,9,17H,7-8,10-11H2,1-4H3
InChIKeySTUGMVBUNAFHTJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.61
Rot. Bonds3

About [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol

[1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol (PubChem CID 116928903) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol
PubChem CID116928903
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol
SMILESCc1cc(C(C)(C)C)ccc1CC1(CO)CC1
InChIInChI=1S/C16H24O/c1-12-9-14(15(2,3)4)6-5-13(12)10-16(11-17)7-8-16/h5-6,9,17H,7-8,10-11H2,1-4H3
InChIKeySTUGMVBUNAFHTJ-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol
CID 66026781
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859183
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
CID 83698395
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 107874814
1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol (CID 116928903) is [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol is Cc1cc(C(C)(C)C)ccc1CC1(CO)CC1.
What is the InChIKey of [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol?
The InChIKey is STUGMVBUNAFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12-9-14(15(2,3)4)6-5-13(12)10-16(11-17)7-8-16/h5-6,9,17H,7-8,10-11H2,1-4H3.
What are the key properties of [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol?
[1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol has a molecular weight of 232.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butyl-2-methylphenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116928903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).