naphtho[1,2-c]chromen-5-one

C17H10O2 — CID 102526290

IUPACnaphtho[1,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C17H10O2/c18-17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)19-17/h1-10H
InChIKeyXMUDFWMLPCERRK-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.10
Rot. Bonds

About naphtho[1,2-c]chromen-5-one

naphtho[1,2-c]chromen-5-one (PubChem CID 102526290) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is naphtho[1,2-c]chromen-5-one.

Molecular Properties

Compound Namenaphtho[1,2-c]chromen-5-one
PubChem CID102526290
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Namenaphtho[1,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C17H10O2/c18-17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)19-17/h1-10H
InChIKeyXMUDFWMLPCERRK-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
4,9-dioxapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),13,15,17,19-heptaene-3,5,8,10-tetrone
CID 90856878
7-methoxy-4-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5(10),6,8,12,15,17,19,21-decaen-3-one
CID 118617487
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
7-chloro-8-hydroxybenzo[c]chromen-6-one
CID 164598055
6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219
17-methyl-12,20-dioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17-nonaen-21-one
CID 118531175
17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
CID 101479276
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167184399
3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
CID 67403426

Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-c]chromen-5-one?
The IUPAC name of naphtho[1,2-c]chromen-5-one (CID 102526290) is naphtho[1,2-c]chromen-5-one.
What is the SMILES notation for naphtho[1,2-c]chromen-5-one?
The canonical SMILES for naphtho[1,2-c]chromen-5-one is O=c1oc2ccccc2c2ccc3ccccc3c12.
What is the InChIKey of naphtho[1,2-c]chromen-5-one?
The InChIKey is XMUDFWMLPCERRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c18-17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)19-17/h1-10H.
What are the key properties of naphtho[1,2-c]chromen-5-one?
naphtho[1,2-c]chromen-5-one has a molecular weight of 246.27 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-c]chromen-5-one is sourced from PubChem (CID 102526290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).