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

C30H26O4 — CID 70668322

IUPAC(3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
SMILESC=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCCC)c4)c(-c4ccccc4)c3c2O1
InChIInChI=1S/C30H26O4/c1-4-5-16-32-23-13-9-12-22(18-23)28(31)30-26(21-10-7-6-8-11-21)27-25(34-30)15-14-24-19(2)17-20(3)33-29(24)27/h6-15,17-18H,3-5,16H2,1-2H3
InChIKeyNZULZDZUSOQYHW-UHFFFAOYSA-N
MW450.53 g/mol
LogP7.82
Rot. Bonds7

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

(3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone (PubChem CID 70668322) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone.

Molecular Properties

Compound Name(3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
PubChem CID70668322
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name(3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
SMILESC=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCCC)c4)c(-c4ccccc4)c3c2O1
InChIInChI=1S/C30H26O4/c1-4-5-16-32-23-13-9-12-22(18-23)28(31)30-26(21-10-7-6-8-11-21)27-25(34-30)15-14-24-19(2)17-20(3)33-29(24)27/h6-15,17-18H,3-5,16H2,1-2H3
InChIKeyNZULZDZUSOQYHW-UHFFFAOYSA-N
XLogP7.82
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 57.82
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-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
CID 70668364
[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
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
9-(3-bromophenyl)-4-methyl-8-(3-pentoxybenzoyl)furo[2,3-h]chromen-2-one
CID 58008437
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
8-[3-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599241
(4-methoxy-3-phenyl-5-prop-1-en-2-yl-1-benzofuran-2-yl)-(3-prop-2-ynoxyphenyl)methanone
CID 89122804
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245
[4-[2-(diethylamino)ethoxy]phenyl]-[3-phenyl-4-(trifluoromethyl)-1-benzofuran-2-yl]methanone
CID 21435352
[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485851

Frequently Asked Questions

What is the IUPAC name of (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
The IUPAC name of (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone (CID 70668322) is (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone.
What is the SMILES notation for (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
The canonical SMILES for (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone is C=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCCC)c4)c(-c4ccccc4)c3c2O1.
What is the InChIKey of (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
The InChIKey is NZULZDZUSOQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-4-5-16-32-23-13-9-12-22(18-23)28(31)30-26(21-10-7-6-8-11-21)27-25(34-30)15-14-24-19(2)17-20(3)33-29(24)27/h6-15,17-18H,3-5,16H2,1-2H3.
What are the key properties of (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone?
(3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone has a molecular weight of 450.53 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone is sourced from PubChem (CID 70668322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).