(3-prop-2-ynoxyphenyl)methanol

C10H10O2 — CID 10797067

IUPAC(3-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1cccc(CO)c1
InChIInChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7,11H,6,8H2
InChIKeyCJSZXTASUDBDKP-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.19
Rot. Bonds3

About (3-prop-2-ynoxyphenyl)methanol

(3-prop-2-ynoxyphenyl)methanol (PubChem CID 10797067) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Name(3-prop-2-ynoxyphenyl)methanol
PubChem CID10797067
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1cccc(CO)c1
InChIInChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7,11H,6,8H2
InChIKeyCJSZXTASUDBDKP-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.19
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

N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
CID 94074486
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-prop-2-ynylphenyl)methanol
CID 18624825
3-methyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126224
2-[3-[[3-(hydroxymethyl)anilino]methyl]phenoxy]acetonitrile
CID 43784672
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140

Frequently Asked Questions

What is the IUPAC name of (3-prop-2-ynoxyphenyl)methanol?
The IUPAC name of (3-prop-2-ynoxyphenyl)methanol (CID 10797067) is (3-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for (3-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for (3-prop-2-ynoxyphenyl)methanol is C#CCOc1cccc(CO)c1.
What is the InChIKey of (3-prop-2-ynoxyphenyl)methanol?
The InChIKey is CJSZXTASUDBDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7,11H,6,8H2.
What are the key properties of (3-prop-2-ynoxyphenyl)methanol?
(3-prop-2-ynoxyphenyl)methanol has a molecular weight of 162.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-ynoxyphenyl)methanol is sourced from PubChem (CID 10797067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).