(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol

C14H20O2 — CID 79008660

IUPAC(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCC2CCC2)c1
InChIInChI=1S/C14H20O2/c1-10-6-7-13(11(2)15)14(8-10)16-9-12-4-3-5-12/h6-8,11-12,15H,3-5,9H2,1-2H3/t11-/m0/s1
InChIKeyHSKQIODULZJKBI-NSHDSACASA-N
MW220.31 g/mol
LogP3.23
Rot. Bonds4

About (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol

(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol (PubChem CID 79008660) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
PubChem CID79008660
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCC2CCC2)c1
InChIInChI=1S/C14H20O2/c1-10-6-7-13(11(2)15)14(8-10)16-9-12-4-3-5-12/h6-8,11-12,15H,3-5,9H2,1-2H3/t11-/m0/s1
InChIKeyHSKQIODULZJKBI-NSHDSACASA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol (CID 79008660) is (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol is Cc1ccc([C@H](C)O)c(OCC2CCC2)c1.
What is the InChIKey of (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol?
The InChIKey is HSKQIODULZJKBI-NSHDSACASA-N. The full InChI is InChI=1S/C14H20O2/c1-10-6-7-13(11(2)15)14(8-10)16-9-12-4-3-5-12/h6-8,11-12,15H,3-5,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol?
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol has a molecular weight of 220.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol is sourced from PubChem (CID 79008660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).