(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol

C12H14O2 — CID 63365133

IUPAC(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
SMILESC#CCOc1ccccc1[C@@H](O)CC
InChIInChI=1S/C12H14O2/c1-3-9-14-12-8-6-5-7-10(12)11(13)4-2/h1,5-8,11,13H,4,9H2,2H3/t11-/m0/s1
InChIKeyWZMOUDWCHMBOSH-NSHDSACASA-N
MW190.24 g/mol
LogP2.14
Rot. Bonds4

About (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol

(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol (PubChem CID 63365133) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
PubChem CID63365133
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
SMILESC#CCOc1ccccc1[C@@H](O)CC
InChIInChI=1S/C12H14O2/c1-3-9-14-12-8-6-5-7-10(12)11(13)4-2/h1,5-8,11,13H,4,9H2,2H3/t11-/m0/s1
InChIKeyWZMOUDWCHMBOSH-NSHDSACASA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 55190391
1-[bis(ethylsulfanyl)methyl]-2-prop-2-ynoxybenzene
CID 71407151
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol (CID 63365133) is (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol is C#CCOc1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol?
The InChIKey is WZMOUDWCHMBOSH-NSHDSACASA-N. The full InChI is InChI=1S/C12H14O2/c1-3-9-14-12-8-6-5-7-10(12)11(13)4-2/h1,5-8,11,13H,4,9H2,2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol?
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol has a molecular weight of 190.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol is sourced from PubChem (CID 63365133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).