(3-pent-1-ynylphenyl)methanol

C12H14O — CID 11159609

IUPAC(3-pent-1-ynylphenyl)methanol
SMILESCCCC#Cc1cccc(CO)c1
InChIInChI=1S/C12H14O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-9,13H,2-3,10H2,1H3
InChIKeyXPBYLBVAWORSDV-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.33
Rot. Bonds2

About (3-pent-1-ynylphenyl)methanol

(3-pent-1-ynylphenyl)methanol (PubChem CID 11159609) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (3-pent-1-ynylphenyl)methanol.

Molecular Properties

Compound Name(3-pent-1-ynylphenyl)methanol
PubChem CID11159609
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(3-pent-1-ynylphenyl)methanol
SMILESCCCC#Cc1cccc(CO)c1
InChIInChI=1S/C12H14O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-9,13H,2-3,10H2,1H3
InChIKeyXPBYLBVAWORSDV-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-pent-1-ynylbenzene
CID 145057791
[3-(3-sulfanylprop-1-ynyl)phenyl]methanol
CID 169486148
[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 68608963
1-pent-1-ynyl-3-phenylbenzene
CID 177471629
4-[3-[[methyl(propyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969699
4-[3-(diethylaminomethyl)phenyl]but-3-yn-1-ol
CID 54969736
methyl 4-[3-(hydroxymethyl)phenyl]but-3-ynoate
CID 170469072
4-[3-(butylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 54974433
1-methyl-3-(3-pent-1-ynylphenyl)benzene
CID 123340302
ethyl 3-[3-(hydroxymethyl)phenyl]prop-2-ynoate
CID 122647699
2-[3-(hydroxymethyl)phenyl]ethynyl thiohypoiodite
CID 167449599
3-pent-1-ynylbenzenesulfonamide
CID 166976243

Frequently Asked Questions

What is the IUPAC name of (3-pent-1-ynylphenyl)methanol?
The IUPAC name of (3-pent-1-ynylphenyl)methanol (CID 11159609) is (3-pent-1-ynylphenyl)methanol.
What is the SMILES notation for (3-pent-1-ynylphenyl)methanol?
The canonical SMILES for (3-pent-1-ynylphenyl)methanol is CCCC#Cc1cccc(CO)c1.
What is the InChIKey of (3-pent-1-ynylphenyl)methanol?
The InChIKey is XPBYLBVAWORSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-9,13H,2-3,10H2,1H3.
What are the key properties of (3-pent-1-ynylphenyl)methanol?
(3-pent-1-ynylphenyl)methanol has a molecular weight of 174.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pent-1-ynylphenyl)methanol is sourced from PubChem (CID 11159609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).