4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol

C24H16O — CID 11427189

IUPAC4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol
SMILESOc1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1
InChIInChI=1S/C24H16O/c25-20-12-10-17(11-13-20)23(16-6-2-1-3-7-16)24-21-14-18-8-4-5-9-19(18)15-22(21)24/h1-15,25H
InChIKeyBSUQIKJVMVDBHW-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.87
Rot. Bonds2

About 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol

4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol (PubChem CID 11427189) has the molecular formula C24H16O and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol.

Molecular Properties

Compound Name4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol
PubChem CID11427189
Molecular FormulaC24H16O
Molecular Weight320.39 g/mol
Exact Mass320.12
IUPAC Name4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol
SMILESOc1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1
InChIInChI=1S/C24H16O/c25-20-12-10-17(11-13-20)23(16-6-2-1-3-7-16)24-21-14-18-8-4-5-9-19(18)15-22(21)24/h1-15,25H
InChIKeyBSUQIKJVMVDBHW-UHFFFAOYSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene
CID 11461052
11-[bis(4-methoxyphenyl)methylidene]benzo[b]fluorene
CID 53474059
3-(4-hydroxyphenyl)naphthalen-2-ol
CID 173247043
anthracene;benzene;naphthalene;phenol
CID 174822165
9-benzhydrylidene-2-methylfluorene
CID 631309
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
9-benzhydrylidene-2-ethynylfluorene
CID 101435215
naphthalen-2-ol
CID 71750931
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one
CID 10663747
CID 69280188
CID 69280188
benzene-1,4-diol;benzoic acid
CID 67019242

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol?
The IUPAC name of 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol (CID 11427189) is 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol.
What is the SMILES notation for 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol?
The canonical SMILES for 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol is Oc1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1.
What is the InChIKey of 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol?
The InChIKey is BSUQIKJVMVDBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O/c25-20-12-10-17(11-13-20)23(16-6-2-1-3-7-16)24-21-14-18-8-4-5-9-19(18)15-22(21)24/h1-15,25H.
What are the key properties of 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol?
4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol is sourced from PubChem (CID 11427189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).