(R)-phenyl(prop-2-enoxy)methanol

C10H12O2 — CID 97012117

IUPAC(R)-phenyl(prop-2-enoxy)methanol
SMILESC=CCO[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2/t10-/m1/s1
InChIKeyHNJPKVBCIQOSKB-SNVBAGLBSA-N
MW164.20 g/mol
LogP1.88
Rot. Bonds4

About (R)-phenyl(prop-2-enoxy)methanol

(R)-phenyl(prop-2-enoxy)methanol (PubChem CID 97012117) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (R)-phenyl(prop-2-enoxy)methanol.

Molecular Properties

Compound Name(R)-phenyl(prop-2-enoxy)methanol
PubChem CID97012117
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(R)-phenyl(prop-2-enoxy)methanol
SMILESC=CCO[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2/t10-/m1/s1
InChIKeyHNJPKVBCIQOSKB-SNVBAGLBSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
2-phenyl-2-prop-2-enoxyacetate
CID 131736719
1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene
CID 69207509
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
(E)-2-methyl-4-phenyl-4-prop-2-enoxybut-2-enal
CID 132573827
sodium phenyl(prop-2-enoxy)methanesulfonate
CID 87934253
(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol
CID 102243904
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl(prop-2-enoxy)methanol?
The IUPAC name of (R)-phenyl(prop-2-enoxy)methanol (CID 97012117) is (R)-phenyl(prop-2-enoxy)methanol.
What is the SMILES notation for (R)-phenyl(prop-2-enoxy)methanol?
The canonical SMILES for (R)-phenyl(prop-2-enoxy)methanol is C=CCO[C@@H](O)c1ccccc1.
What is the InChIKey of (R)-phenyl(prop-2-enoxy)methanol?
The InChIKey is HNJPKVBCIQOSKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2/t10-/m1/s1.
What are the key properties of (R)-phenyl(prop-2-enoxy)methanol?
(R)-phenyl(prop-2-enoxy)methanol has a molecular weight of 164.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl(prop-2-enoxy)methanol is sourced from PubChem (CID 97012117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).