7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol

C17H22O2 — CID 115838516

IUPAC7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)C1C2CCCCC21
InChIInChI=1S/C17H22O2/c18-17(16-14-6-1-2-7-15(14)16)11-4-3-5-13(10-11)19-12-8-9-12/h3-5,10,12,14-18H,1-2,6-9H2
InChIKeyITNQJHWDRFQPCV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.70
Rot. Bonds4

About 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol

7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol (PubChem CID 115838516) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
PubChem CID115838516
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)C1C2CCCCC21
InChIInChI=1S/C17H22O2/c18-17(16-14-6-1-2-7-15(14)16)11-4-3-5-13(10-11)19-12-8-9-12/h3-5,10,12,14-18H,1-2,6-9H2
InChIKeyITNQJHWDRFQPCV-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 114521401

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol (CID 115838516) is 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol is OC(c1cccc(OC2CC2)c1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is ITNQJHWDRFQPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-17(16-14-6-1-2-7-15(14)16)11-4-3-5-13(10-11)19-12-8-9-12/h3-5,10,12,14-18H,1-2,6-9H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol?
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 258.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 115838516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).