4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol

C20H22O2 — CID 11587420

IUPAC4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2
InChIKeyXVTAYJKFHUKWSR-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.25
Rot. Bonds2

About 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol

4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol (PubChem CID 11587420) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol
PubChem CID11587420
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2
InChIKeyXVTAYJKFHUKWSR-UHFFFAOYSA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol (CID 11587420) is 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is XVTAYJKFHUKWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2.
What are the key properties of 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol?
4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 294.39 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 11587420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).