cycloheptane;(4-methoxyphenyl)methanol

C15H24O2 — CID 142801335

IUPACcycloheptane;(4-methoxyphenyl)methanol
SMILESC1CCCCCC1.COc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.C7H14/c1-10-8-4-2-7(6-9)3-5-8;1-2-4-6-7-5-3-1/h2-5,9H,6H2,1H3;1-7H2
InChIKeyDQYYUWUMEWPJEG-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.92
Rot. Bonds2

About cycloheptane;(4-methoxyphenyl)methanol

cycloheptane;(4-methoxyphenyl)methanol (PubChem CID 142801335) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cycloheptane;(4-methoxyphenyl)methanol.

Molecular Properties

Compound Namecycloheptane;(4-methoxyphenyl)methanol
PubChem CID142801335
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecycloheptane;(4-methoxyphenyl)methanol
SMILESC1CCCCCC1.COc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.C7H14/c1-10-8-4-2-7(6-9)3-5-8;1-2-4-6-7-5-3-1/h2-5,9H,6H2,1H3;1-7H2
InChIKeyDQYYUWUMEWPJEG-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of cycloheptane;(4-methoxyphenyl)methanol?
The IUPAC name of cycloheptane;(4-methoxyphenyl)methanol (CID 142801335) is cycloheptane;(4-methoxyphenyl)methanol.
What is the SMILES notation for cycloheptane;(4-methoxyphenyl)methanol?
The canonical SMILES for cycloheptane;(4-methoxyphenyl)methanol is C1CCCCCC1.COc1ccc(CO)cc1.
What is the InChIKey of cycloheptane;(4-methoxyphenyl)methanol?
The InChIKey is DQYYUWUMEWPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H14/c1-10-8-4-2-7(6-9)3-5-8;1-2-4-6-7-5-3-1/h2-5,9H,6H2,1H3;1-7H2.
What are the key properties of cycloheptane;(4-methoxyphenyl)methanol?
cycloheptane;(4-methoxyphenyl)methanol has a molecular weight of 236.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane;(4-methoxyphenyl)methanol is sourced from PubChem (CID 142801335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).