1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol

C15H21ClO2 — CID 116696380

IUPAC1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
SMILESOC(CCCl)(CCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H21ClO2/c16-11-10-15(17,13-5-2-1-3-6-13)9-8-14-7-4-12-18-14/h1-3,5-6,14,17H,4,7-12H2
InChIKeySRHMWJNDRKSELT-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.46
Rot. Bonds6

About 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol

1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol (PubChem CID 116696380) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol.

Molecular Properties

Compound Name1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
PubChem CID116696380
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
SMILESOC(CCCl)(CCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H21ClO2/c16-11-10-15(17,13-5-2-1-3-6-13)9-8-14-7-4-12-18-14/h1-3,5-6,14,17H,4,7-12H2
InChIKeySRHMWJNDRKSELT-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 105059667
2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
CID 79450140
1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea
CID 95324860
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol?
The IUPAC name of 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol (CID 116696380) is 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol.
What is the SMILES notation for 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol?
The canonical SMILES for 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol is OC(CCCl)(CCC1CCCO1)c1ccccc1.
What is the InChIKey of 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol?
The InChIKey is SRHMWJNDRKSELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c16-11-10-15(17,13-5-2-1-3-6-13)9-8-14-7-4-12-18-14/h1-3,5-6,14,17H,4,7-12H2.
What are the key properties of 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol?
1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol has a molecular weight of 268.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol is sourced from PubChem (CID 116696380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).