1-methyl-1-phenoxycycloheptane

C14H20O — CID 101026780

IUPAC1-methyl-1-phenoxycycloheptane
SMILESCC1(Oc2ccccc2)CCCCCC1
InChIInChI=1S/C14H20O/c1-14(11-7-2-3-8-12-14)15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3
InChIKeyCCICPBYQPHFUNW-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.18
Rot. Bonds2

About 1-methyl-1-phenoxycycloheptane

1-methyl-1-phenoxycycloheptane (PubChem CID 101026780) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-methyl-1-phenoxycycloheptane.

Molecular Properties

Compound Name1-methyl-1-phenoxycycloheptane
PubChem CID101026780
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-methyl-1-phenoxycycloheptane
SMILESCC1(Oc2ccccc2)CCCCCC1
InChIInChI=1S/C14H20O/c1-14(11-7-2-3-8-12-14)15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3
InChIKeyCCICPBYQPHFUNW-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenoxycycloheptane?
The IUPAC name of 1-methyl-1-phenoxycycloheptane (CID 101026780) is 1-methyl-1-phenoxycycloheptane.
What is the SMILES notation for 1-methyl-1-phenoxycycloheptane?
The canonical SMILES for 1-methyl-1-phenoxycycloheptane is CC1(Oc2ccccc2)CCCCCC1.
What is the InChIKey of 1-methyl-1-phenoxycycloheptane?
The InChIKey is CCICPBYQPHFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-14(11-7-2-3-8-12-14)15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3.
What are the key properties of 1-methyl-1-phenoxycycloheptane?
1-methyl-1-phenoxycycloheptane has a molecular weight of 204.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenoxycycloheptane is sourced from PubChem (CID 101026780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).