1,5-diphenylpentan-3-ol;hydrochloride

C17H21ClO — CID 139805992

IUPAC1,5-diphenylpentan-3-ol;hydrochloride
SMILESCl.OC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H20O.ClH/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-10,17-18H,11-14H2;1H
InChIKeyNMWLSJWDBVSTNW-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.03
Rot. Bonds6

About 1,5-diphenylpentan-3-ol;hydrochloride

1,5-diphenylpentan-3-ol;hydrochloride (PubChem CID 139805992) has the molecular formula C17H21ClO and a molecular weight of 276.81 g/mol. Its IUPAC name is 1,5-diphenylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name1,5-diphenylpentan-3-ol;hydrochloride
PubChem CID139805992
Molecular FormulaC17H21ClO
Molecular Weight276.81 g/mol
Exact Mass276.13
IUPAC Name1,5-diphenylpentan-3-ol;hydrochloride
SMILESCl.OC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H20O.ClH/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-10,17-18H,11-14H2;1H
InChIKeyNMWLSJWDBVSTNW-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-phenylhept-6-yn-3-ol
CID 63657298
1-phenylheptan-3-ol
CID 10420110
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(4R)-4-hydroxy-6-phenylhexanenitrile
CID 15648925
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
5-(chloromethyl)-1-phenylhex-5-en-3-ol
CID 15313184
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpentan-3-ol;hydrochloride?
The IUPAC name of 1,5-diphenylpentan-3-ol;hydrochloride (CID 139805992) is 1,5-diphenylpentan-3-ol;hydrochloride.
What is the SMILES notation for 1,5-diphenylpentan-3-ol;hydrochloride?
The canonical SMILES for 1,5-diphenylpentan-3-ol;hydrochloride is Cl.OC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1,5-diphenylpentan-3-ol;hydrochloride?
The InChIKey is NMWLSJWDBVSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.ClH/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-10,17-18H,11-14H2;1H.
What are the key properties of 1,5-diphenylpentan-3-ol;hydrochloride?
1,5-diphenylpentan-3-ol;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpentan-3-ol;hydrochloride is sourced from PubChem (CID 139805992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).