1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol

C14H17ClO3 — CID 117425519

IUPAC1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(OC3CCOC3)c(Cl)c2)CC1
InChIInChI=1S/C14H17ClO3/c15-12-7-10(8-14(16)4-5-14)1-2-13(12)18-11-3-6-17-9-11/h1-2,7,11,16H,3-6,8-9H2
InChIKeyLQPXQCKWXFEGSQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.58
Rot. Bonds4

About 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol

1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117425519) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
PubChem CID117425519
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(OC3CCOC3)c(Cl)c2)CC1
InChIInChI=1S/C14H17ClO3/c15-12-7-10(8-14(16)4-5-14)1-2-13(12)18-11-3-6-17-9-11/h1-2,7,11,16H,3-6,8-9H2
InChIKeyLQPXQCKWXFEGSQ-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452446
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]-3-methylbutanoic acid
CID 117481244
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374036
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol (CID 117425519) is 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol is OC1(Cc2ccc(OC3CCOC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is LQPXQCKWXFEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-12-7-10(8-14(16)4-5-14)1-2-13(12)18-11-3-6-17-9-11/h1-2,7,11,16H,3-6,8-9H2.
What are the key properties of 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol?
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 268.74 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117425519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).