9-methyl-7H-benzo[c]xanthene-7-carbaldehyde

C19H14O2 — CID 175020806

IUPAC9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
SMILESCc1ccc2c(c1)C(C=O)c1ccc3ccccc3c1O2
InChIInChI=1S/C19H14O2/c1-12-6-9-18-16(10-12)17(11-20)15-8-7-13-4-2-3-5-14(13)19(15)21-18/h2-11,17H,1H3
InChIKeyZBFTXMSYVVTCCR-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.58
Rot. Bonds1

About 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde

9-methyl-7H-benzo[c]xanthene-7-carbaldehyde (PubChem CID 175020806) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde.

Molecular Properties

Compound Name9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
PubChem CID175020806
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
SMILESCc1ccc2c(c1)C(C=O)c1ccc3ccccc3c1O2
InChIInChI=1S/C19H14O2/c1-12-6-9-18-16(10-12)17(11-20)15-8-7-13-4-2-3-5-14(13)19(15)21-18/h2-11,17H,1H3
InChIKeyZBFTXMSYVVTCCR-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-(3-methylphenyl)-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516616
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
4-hydroxy-9H-xanthene-9-carbaldehyde
CID 174562050
2-amino-4-(6-methyl-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 155813506
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015
6-methyl-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174526090
3-hydroxy-6-methyl-2-(2,3,4-trihydroxyphenyl)-4H-chromene-4-carbaldehyde
CID 174448676
2,4-diethyl-9H-xanthene-9-carbaldehyde
CID 174679590
13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516604
6-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbaldehyde
CID 139402521
(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1135142

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde?
The IUPAC name of 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde (CID 175020806) is 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde.
What is the SMILES notation for 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde?
The canonical SMILES for 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde is Cc1ccc2c(c1)C(C=O)c1ccc3ccccc3c1O2.
What is the InChIKey of 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde?
The InChIKey is ZBFTXMSYVVTCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-12-6-9-18-16(10-12)17(11-20)15-8-7-13-4-2-3-5-14(13)19(15)21-18/h2-11,17H,1H3.
What are the key properties of 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde?
9-methyl-7H-benzo[c]xanthene-7-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7H-benzo[c]xanthene-7-carbaldehyde is sourced from PubChem (CID 175020806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).