[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol

C14H19ClO3 — CID 112612609

IUPAC[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
SMILESOCc1cccc(Cl)c1OCCCC1CCCO1
InChIInChI=1S/C14H19ClO3/c15-13-7-1-4-11(10-16)14(13)18-9-3-6-12-5-2-8-17-12/h1,4,7,12,16H,2-3,5-6,8-10H2
InChIKeyGBKHPVMTWWXBRM-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.17
Rot. Bonds6

About [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol

[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol (PubChem CID 112612609) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
PubChem CID112612609
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
SMILESOCc1cccc(Cl)c1OCCCC1CCCO1
InChIInChI=1S/C14H19ClO3/c15-13-7-1-4-11(10-16)14(13)18-9-3-6-12-5-2-8-17-12/h1,4,7,12,16H,2-3,5-6,8-10H2
InChIKeyGBKHPVMTWWXBRM-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(bromomethyl)-6-chlorophenoxy]propyl]oxolane
CID 112613783
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162888
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
2-[3-[2-(bromomethyl)-6-methylphenoxy]propyl]oxolane
CID 112614116
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954695

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol (CID 112612609) is [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol is OCc1cccc(Cl)c1OCCCC1CCCO1.
What is the InChIKey of [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
The InChIKey is GBKHPVMTWWXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c15-13-7-1-4-11(10-16)14(13)18-9-3-6-12-5-2-8-17-12/h1,4,7,12,16H,2-3,5-6,8-10H2.
What are the key properties of [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol has a molecular weight of 270.76 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol is sourced from PubChem (CID 112612609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).