5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol

C19H19ClO — CID 143166017

IUPAC5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol
SMILESC#Cc1ccc(C(CCCCO)c2ccccc2)cc1Cl
InChIInChI=1S/C19H19ClO/c1-2-15-11-12-17(14-19(15)20)18(10-6-7-13-21)16-8-4-3-5-9-16/h1,3-5,8-9,11-12,14,18,21H,6-7,10,13H2
InChIKeyZVIZBTWVEAFQJA-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.62
Rot. Bonds6

About 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol

5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol (PubChem CID 143166017) has the molecular formula C19H19ClO and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol.

Molecular Properties

Compound Name5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol
PubChem CID143166017
Molecular FormulaC19H19ClO
Molecular Weight298.81 g/mol
Exact Mass298.11
IUPAC Name5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol
SMILESC#Cc1ccc(C(CCCCO)c2ccccc2)cc1Cl
InChIInChI=1S/C19H19ClO/c1-2-15-11-12-17(14-19(15)20)18(10-6-7-13-21)16-8-4-3-5-9-16/h1,3-5,8-9,11-12,14,18,21H,6-7,10,13H2
InChIKeyZVIZBTWVEAFQJA-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.62
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

(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125
1-phenyldecane-1,10-diol
CID 15255187
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
3-(3,3-diphenylpropylarsanyl)propan-1-ol
CID 173070567
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide
CID 139707525

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol?
The IUPAC name of 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol (CID 143166017) is 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol.
What is the SMILES notation for 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol?
The canonical SMILES for 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol is C#Cc1ccc(C(CCCCO)c2ccccc2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol?
The InChIKey is ZVIZBTWVEAFQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO/c1-2-15-11-12-17(14-19(15)20)18(10-6-7-13-21)16-8-4-3-5-9-16/h1,3-5,8-9,11-12,14,18,21H,6-7,10,13H2.
What are the key properties of 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol?
5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol has a molecular weight of 298.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol is sourced from PubChem (CID 143166017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).