1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol

C16H24O2 — CID 117374422

IUPAC1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(CC2(O)CC2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-11-8-12(10-16(17)6-7-16)14(18-5)13(9-11)15(2,3)4/h8-9,17H,6-7,10H2,1-5H3
InChIKeyBYVPTRCBBXHLHA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.37
Rot. Bonds3

About 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol

1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117374422) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
PubChem CID117374422
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(CC2(O)CC2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C16H24O2/c1-11-8-12(10-16(17)6-7-16)14(18-5)13(9-11)15(2,3)4/h8-9,17H,6-7,10H2,1-5H3
InChIKeyBYVPTRCBBXHLHA-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117425603
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
1-(4-acetylpiperazin-1-yl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 110769579
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
5-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]-3,8,8-trimethyl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 143036154

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol (CID 117374422) is 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol is COc1c(CC2(O)CC2)cc(C)cc1C(C)(C)C.
What is the InChIKey of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is BYVPTRCBBXHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-8-12(10-16(17)6-7-16)14(18-5)13(9-11)15(2,3)4/h8-9,17H,6-7,10H2,1-5H3.
What are the key properties of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol?
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117374422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).