(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone

C32H30O4 — CID 70668364

IUPAC(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
SMILESC=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCCCCC)c4)c(-c4ccccc4)c3c2O1
InChIInChI=1S/C32H30O4/c1-4-5-6-10-18-34-25-15-11-14-24(20-25)30(33)32-28(23-12-8-7-9-13-23)29-27(36-32)17-16-26-21(2)19-22(3)35-31(26)29/h7-9,11-17,19-20H,3-6,10,18H2,1-2H3
InChIKeyPPVKTJYFTKUXNY-UHFFFAOYSA-N
MW478.59 g/mol
LogP8.60
Rot. Bonds9

About (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone

(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone (PubChem CID 70668364) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone.

Molecular Properties

Compound Name(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
PubChem CID70668364
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
SMILESC=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCCCCC)c4)c(-c4ccccc4)c3c2O1
InChIInChI=1S/C32H30O4/c1-4-5-6-10-18-34-25-15-11-14-24(20-25)30(33)32-28(23-12-8-7-9-13-23)29-27(36-32)17-16-26-21(2)19-22(3)35-31(26)29/h7-9,11-17,19-20H,3-6,10,18H2,1-2H3
InChIKeyPPVKTJYFTKUXNY-UHFFFAOYSA-N
XLogP8.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
CID 70668322
[3-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone;[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone;[3-(4-iodobutoxy)phenyl]-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone;1-[5-[3-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenoxy]pentoxy]propan-2-one
CID 158867996
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457
9-(3-bromophenyl)-4-methyl-8-(3-pentoxybenzoyl)furo[2,3-h]chromen-2-one
CID 58008437
8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600205
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
1-(3-henicosoxyphenyl)ethanone
CID 23127401
(4-methoxy-3-phenyl-5-prop-1-en-2-yl-1-benzofuran-2-yl)-(3-prop-2-ynoxyphenyl)methanone
CID 89122804
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
3-tetradecoxybenzoate
CID 168826216

Frequently Asked Questions

What is the IUPAC name of (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
The IUPAC name of (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone (CID 70668364) is (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone.
What is the SMILES notation for (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
The canonical SMILES for (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone is C=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCCCCC)c4)c(-c4ccccc4)c3c2O1.
What is the InChIKey of (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
The InChIKey is PPVKTJYFTKUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O4/c1-4-5-6-10-18-34-25-15-11-14-24(20-25)30(33)32-28(23-12-8-7-9-13-23)29-27(36-32)17-16-26-21(2)19-22(3)35-31(26)29/h7-9,11-17,19-20H,3-6,10,18H2,1-2H3.
What are the key properties of (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone has a molecular weight of 478.59 g/mol, XLogP of 8.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone is sourced from PubChem (CID 70668364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).