4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol

C28H30O2 — CID 69163901

IUPAC4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2CCCCCCC2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H30O2/c29-26-17-13-24(14-18-26)28(23-11-7-2-1-3-8-12-23)25-15-19-27(20-16-25)30-21-22-9-5-4-6-10-22/h4-6,9-10,13-20,29H,1-3,7-8,11-12,21H2
InChIKeyUVXBPRIRUUYMHH-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.52
Rot. Bonds5

About 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol

4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol (PubChem CID 69163901) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol
PubChem CID69163901
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2CCCCCCC2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H30O2/c29-26-17-13-24(14-18-26)28(23-11-7-2-1-3-8-12-23)25-15-19-27(20-16-25)30-21-22-9-5-4-6-10-22/h4-6,9-10,13-20,29H,1-3,7-8,11-12,21H2
InChIKeyUVXBPRIRUUYMHH-UHFFFAOYSA-N
XLogP7.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-aminoethoxy)phenyl]-cyclohexylidenemethyl]phenol
CID 23728510
4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol
CID 86155740
4-phenylmethoxybenzoic acid
CID 68896574
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
ethyl 6-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenoxy]hexanoate
CID 46202250
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-phenylmethoxybenzoyl fluoride
CID 154719359
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
N-[(4-phenylmethoxyphenyl)methyl]cyclopentanimine
CID 23343854

Frequently Asked Questions

What is the IUPAC name of 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol?
The IUPAC name of 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol (CID 69163901) is 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol?
The canonical SMILES for 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol is Oc1ccc(C(=C2CCCCCCC2)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol?
The InChIKey is UVXBPRIRUUYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O2/c29-26-17-13-24(14-18-26)28(23-11-7-2-1-3-8-12-23)25-15-19-27(20-16-25)30-21-22-9-5-4-6-10-22/h4-6,9-10,13-20,29H,1-3,7-8,11-12,21H2.
What are the key properties of 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol?
4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol has a molecular weight of 398.55 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol is sourced from PubChem (CID 69163901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).