1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid

C19H18O2 — CID 146453645

IUPAC1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid
SMILESO=C(O)C1CCCC2Cc3cc4ccccc4cc3C=C21
InChIInChI=1S/C19H18O2/c20-19(21)17-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-18(14)17/h1-2,4-5,8-9,11,14,17H,3,6-7,10H2,(H,20,21)
InChIKeyTZVCBPFBFSWAJG-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.28
Rot. Bonds1

About 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid

1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid (PubChem CID 146453645) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid
PubChem CID146453645
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid
SMILESO=C(O)C1CCCC2Cc3cc4ccccc4cc3C=C21
InChIInChI=1S/C19H18O2/c20-19(21)17-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-18(14)17/h1-2,4-5,8-9,11,14,17H,3,6-7,10H2,(H,20,21)
InChIKeyTZVCBPFBFSWAJG-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,12,12a-hexahydrotetracene-2-carboxamide
CID 69129815
1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide
CID 137353087
anthracene;cyclohexane-1,2-dicarboxylic acid
CID 160819171
4-isoquinolin-3-ylcycloheptane-1-carboxylic acid
CID 139695403
3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
CID 79679992
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
CID 64982460
1-(1,3-dihydrobenzo[f]isoindol-2-yl)pyrrolidine-3-carboxylic acid
CID 139695464
N'-cyclohexylnaphthalene-1-carbohydrazide
CID 22613432
trans-(1S,3S)-3-benzyl-2-oxocyclohexane-1-carboxylic acid
CID 102419759
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495
6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 140990323
methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate
CID 132558192

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid?
The IUPAC name of 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid (CID 146453645) is 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid is O=C(O)C1CCCC2Cc3cc4ccccc4cc3C=C21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid?
The InChIKey is TZVCBPFBFSWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-19(21)17-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-18(14)17/h1-2,4-5,8-9,11,14,17H,3,6-7,10H2,(H,20,21).
What are the key properties of 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid?
1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydrotetracene-1-carboxylic acid is sourced from PubChem (CID 146453645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).