1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol

C14H17ClO2 — CID 117384891

IUPAC1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)cc(Cl)c1C1CC1
InChIInChI=1S/C14H17ClO2/c1-17-12-7-9(8-14(16)4-5-14)6-11(15)13(12)10-2-3-10/h6-7,10,16H,2-5,8H2,1H3
InChIKeyQCMFZHZRLDDKBN-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.29
Rot. Bonds4

About 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol

1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117384891) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117384891
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)cc(Cl)c1C1CC1
InChIInChI=1S/C14H17ClO2/c1-17-12-7-9(8-14(16)4-5-14)6-11(15)13(12)10-2-3-10/h6-7,10,16H,2-5,8H2,1H3
InChIKeyQCMFZHZRLDDKBN-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117333318
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
CID 117382891
1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
CID 165177469
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol (CID 117384891) is 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol is COc1cc(CC2(O)CC2)cc(Cl)c1C1CC1.
What is the InChIKey of 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is QCMFZHZRLDDKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-17-12-7-9(8-14(16)4-5-14)6-11(15)13(12)10-2-3-10/h6-7,10,16H,2-5,8H2,1H3.
What are the key properties of 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 252.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117384891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).