(4-hex-1-ynylphenyl)methanol

C13H16O — CID 101212882

IUPAC(4-hex-1-ynylphenyl)methanol
SMILESCCCCC#Cc1ccc(CO)cc1
InChIInChI=1S/C13H16O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-10,14H,2-4,11H2,1H3
InChIKeyDDCNEWGZDFCDPL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.72
Rot. Bonds3

About (4-hex-1-ynylphenyl)methanol

(4-hex-1-ynylphenyl)methanol (PubChem CID 101212882) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (4-hex-1-ynylphenyl)methanol.

Molecular Properties

Compound Name(4-hex-1-ynylphenyl)methanol
PubChem CID101212882
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(4-hex-1-ynylphenyl)methanol
SMILESCCCCC#Cc1ccc(CO)cc1
InChIInChI=1S/C13H16O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-10,14H,2-4,11H2,1H3
InChIKeyDDCNEWGZDFCDPL-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hex-1-ynylphenyl)ethyl]benzenethiol
CID 173376467
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497
4-hex-1-ynylaniline
CID 11845914
1-hept-1-ynyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 14439222
[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
CID 170463909
1-(4-hex-1-ynylphenyl)butan-2-amine
CID 170888706
2-(4-hept-1-ynylphenyl)acetonitrile
CID 25221721
1-hex-1-ynyl-4-(trifluoromethyl)benzene
CID 11736275
1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439
1-fluoro-4-(4-hex-1-ynylphenyl)benzene
CID 19386407
1-hept-2-ynyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 18940096
1-chloro-4-dodec-1-ynylbenzene
CID 146003040

Frequently Asked Questions

What is the IUPAC name of (4-hex-1-ynylphenyl)methanol?
The IUPAC name of (4-hex-1-ynylphenyl)methanol (CID 101212882) is (4-hex-1-ynylphenyl)methanol.
What is the SMILES notation for (4-hex-1-ynylphenyl)methanol?
The canonical SMILES for (4-hex-1-ynylphenyl)methanol is CCCCC#Cc1ccc(CO)cc1.
What is the InChIKey of (4-hex-1-ynylphenyl)methanol?
The InChIKey is DDCNEWGZDFCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-10,14H,2-4,11H2,1H3.
What are the key properties of (4-hex-1-ynylphenyl)methanol?
(4-hex-1-ynylphenyl)methanol has a molecular weight of 188.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hex-1-ynylphenyl)methanol is sourced from PubChem (CID 101212882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).