[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol

C12H16O3 — CID 168870342

IUPAC[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
SMILESCOc1ccc([C@]2(CO)CCOC2)cc1
InChIInChI=1S/C12H16O3/c1-14-11-4-2-10(3-5-11)12(8-13)6-7-15-9-12/h2-5,13H,6-9H2,1H3/t12-/m0/s1
InChIKeyMDCRYAXFQADBQT-LBPRGKRZSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds3

About [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol

[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol (PubChem CID 168870342) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
PubChem CID168870342
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
SMILESCOc1ccc([C@]2(CO)CCOC2)cc1
InChIInChI=1S/C12H16O3/c1-14-11-4-2-10(3-5-11)12(8-13)6-7-15-9-12/h2-5,13H,6-9H2,1H3/t12-/m0/s1
InChIKeyMDCRYAXFQADBQT-LBPRGKRZSA-N
XLogP1.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
(3-phenyloxan-3-yl)methanol
CID 168870348
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
1,1-diethyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]guanidine
CID 111081288
(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119108221
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
CID 66060087
1,1-diethyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111081287
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol?
The IUPAC name of [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol (CID 168870342) is [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol is COc1ccc([C@]2(CO)CCOC2)cc1.
What is the InChIKey of [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol?
The InChIKey is MDCRYAXFQADBQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-4-2-10(3-5-11)12(8-13)6-7-15-9-12/h2-5,13H,6-9H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol?
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol has a molecular weight of 208.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol is sourced from PubChem (CID 168870342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).