(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate

C19H18O3 — CID 163406678

IUPAC(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c2c(c(O)c3cc(C)ccc13)CC=C(C)C2
InChIInChI=1S/C19H18O3/c1-4-17(20)22-19-14-8-6-11(2)9-15(14)18(21)13-7-5-12(3)10-16(13)19/h4-6,8-9,21H,1,7,10H2,2-3H3
InChIKeyKIPUTWWPAOWHJD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.99
Rot. Bonds2

About (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate

(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate (PubChem CID 163406678) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate.

Molecular Properties

Compound Name(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
PubChem CID163406678
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c2c(c(O)c3cc(C)ccc13)CC=C(C)C2
InChIInChI=1S/C19H18O3/c1-4-17(20)22-19-14-8-6-11(2)9-15(14)18(21)13-7-5-12(3)10-16(13)19/h4-6,8-9,21H,1,7,10H2,2-3H3
InChIKeyKIPUTWWPAOWHJD-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(10-methoxycarbonyloxy-2-methyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
CID 163406401
(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406680
[10-hydroxy-6-methyl-2-(4-methylpent-3-enyl)-1,2,3,4-tetrahydroanthracen-9-yl] prop-2-enoate
CID 163407018
(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
CID 163406495
(14-chloro-10-hydroxy-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) prop-2-enoate
CID 163406993
(2,6-dimethyl-10-phenoxy-1,2,3,4-tetrahydroanthracen-9-yl) prop-2-enoate
CID 163406270
(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163407044
(7-chloro-3-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406697
[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
CID 90778654
(7-chloro-10-hydroxy-14-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) prop-2-enoate
CID 163406565
(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone
CID 11723188
(7-chloro-3-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406551

Frequently Asked Questions

What is the IUPAC name of (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate?
The IUPAC name of (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate (CID 163406678) is (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate.
What is the SMILES notation for (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate?
The canonical SMILES for (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate is C=CC(=O)Oc1c2c(c(O)c3cc(C)ccc13)CC=C(C)C2.
What is the InChIKey of (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate?
The InChIKey is KIPUTWWPAOWHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-17(20)22-19-14-8-6-11(2)9-15(14)18(21)13-7-5-12(3)10-16(13)19/h4-6,8-9,21H,1,7,10H2,2-3H3.
What are the key properties of (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate?
(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate is sourced from PubChem (CID 163406678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).