(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone

C27H27NO3 — CID 154001612

IUPAC(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(OCC4CCCO4)cc3C)ccc21
InChIInChI=1S/C27H27NO3/c1-3-28-25-9-5-4-8-23(25)24-16-19(10-13-26(24)28)27(29)22-12-11-20(15-18(22)2)31-17-21-7-6-14-30-21/h4-5,8-13,15-16,21H,3,6-7,14,17H2,1-2H3
InChIKeySMFSYIVBLCSSKN-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.91
Rot. Bonds6

About (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone

(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 154001612) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID154001612
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(OCC4CCCO4)cc3C)ccc21
InChIInChI=1S/C27H27NO3/c1-3-28-25-9-5-4-8-23(25)24-16-19(10-13-26(24)28)27(29)22-12-11-20(15-18(22)2)31-17-21-7-6-14-30-21/h4-5,8-13,15-16,21H,3,6-7,14,17H2,1-2H3
InChIKeySMFSYIVBLCSSKN-UHFFFAOYSA-N
XLogP5.91
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate
CID 89105009
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432884
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
[(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate;[(E)-1-[6-(4-cyclohexyl-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-(4-cyclohexyloxy-2-methylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[6-[4-(dimethylamino)-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(naphthalene-1-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 172942707
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone (CID 154001612) is (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(OCC4CCCO4)cc3C)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is SMFSYIVBLCSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-3-28-25-9-5-4-8-23(25)24-16-19(10-13-26(24)28)27(29)22-12-11-20(15-18(22)2)31-17-21-7-6-14-30-21/h4-5,8-13,15-16,21H,3,6-7,14,17H2,1-2H3.
What are the key properties of (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone?
(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 413.52 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 154001612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).