acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol

C27H27NO4 — CID 22315014

IUPACacetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
SMILESCC(=O)O.CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1cccc(O)c1-3
InChIInChI=1S/C25H23NO2.C2H4O2/c1-15-14-25(2,3)26-18-13-12-17-22-19(27)10-7-11-20(22)28-24(23(17)21(15)18)16-8-5-4-6-9-16;1-2(3)4/h4-14,24,26-27H,1-3H3;1H3,(H,3,4)
InChIKeyHMHFGVZRVRVVDH-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.24
Rot. Bonds1

About acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol

acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol (PubChem CID 22315014) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol.

Molecular Properties

Compound Nameacetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
PubChem CID22315014
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Nameacetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
SMILESCC(=O)O.CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1cccc(O)c1-3
InChIInChI=1S/C25H23NO2.C2H4O2/c1-15-14-25(2,3)26-18-13-12-17-22-19(27)10-7-11-20(22)28-24(23(17)21(15)18)16-8-5-4-6-9-16;1-2(3)4/h4-14,24,26-27H,1-3H3;1H3,(H,3,4)
InChIKeyHMHFGVZRVRVVDH-UHFFFAOYSA-N
XLogP6.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314992
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
8-fluoro-10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314985
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
(5R)-5-(3-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57197402
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] trifluoromethanesulfonate
CID 22314923
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
10-methoxy-2,2,4-trimethyl-5-[3-(methylsulfonylmethoxy)phenyl]-1,5-dihydrochromeno[3,4-f]quinoline
CID 22926346
7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11741048
[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
CID 18677391
5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10275917

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol?
The IUPAC name of acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol (CID 22315014) is acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol.
What is the SMILES notation for acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol?
The canonical SMILES for acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol is CC(=O)O.CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1cccc(O)c1-3.
What is the InChIKey of acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol?
The InChIKey is HMHFGVZRVRVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2.C2H4O2/c1-15-14-25(2,3)26-18-13-12-17-22-19(27)10-7-11-20(22)28-24(23(17)21(15)18)16-8-5-4-6-9-16;1-2(3)4/h4-14,24,26-27H,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol?
acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol has a molecular weight of 429.52 g/mol, XLogP of 6.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol is sourced from PubChem (CID 22315014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).