(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol

C15H22O2 — CID 82049131

IUPAC(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
SMILESCOc1ccc(C(O)C2CC2)cc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-15(2,3)12-9-11(7-8-13(12)17-4)14(16)10-5-6-10/h7-10,14,16H,5-6H2,1-4H3
InChIKeyVYNQYPYIJZLZRA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.44
Rot. Bonds3

About (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol

(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol (PubChem CID 82049131) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
PubChem CID82049131
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
SMILESCOc1ccc(C(O)C2CC2)cc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-15(2,3)12-9-11(7-8-13(12)17-4)14(16)10-5-6-10/h7-10,14,16H,5-6H2,1-4H3
InChIKeyVYNQYPYIJZLZRA-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511
1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 112510497
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
CID 63428449
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
CID 116961454
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol?
The IUPAC name of (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol (CID 82049131) is (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol.
What is the SMILES notation for (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol?
The canonical SMILES for (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol is COc1ccc(C(O)C2CC2)cc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol?
The InChIKey is VYNQYPYIJZLZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,3)12-9-11(7-8-13(12)17-4)14(16)10-5-6-10/h7-10,14,16H,5-6H2,1-4H3.
What are the key properties of (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol?
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol has a molecular weight of 234.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol is sourced from PubChem (CID 82049131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).