4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde

C23H21NO4 — CID 2947004

IUPAC4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H21NO4/c1-27-23-12-16(14-25)10-11-22(23)28-15-17(26)13-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-12,14,17,26H,13,15H2,1H3
InChIKeyIPBYOOWMIVVDCI-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.06
Rot. Bonds7

About 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde

4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde (PubChem CID 2947004) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
PubChem CID2947004
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H21NO4/c1-27-23-12-16(14-25)10-11-22(23)28-15-17(26)13-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-12,14,17,26H,13,15H2,1H3
InChIKeyIPBYOOWMIVVDCI-UHFFFAOYSA-N
XLogP4.06
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxy-2-phenylethoxy)-3-methoxybenzaldehyde
CID 60884383
3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
CID 82849933
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]benzaldehyde
CID 991924
3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
CID 51283429
4-(3-hydroxypentoxy)-3-methoxybenzaldehyde
CID 174669406
1-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 24606406
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde
CID 106990816
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-(3-amino-3-hydroxypropoxy)-3-methoxybenzaldehyde
CID 174439542
1-[4-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 51932175

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde?
The IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde (CID 2947004) is 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde?
The InChIKey is IPBYOOWMIVVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-23-12-16(14-25)10-11-22(23)28-15-17(26)13-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-12,14,17,26H,13,15H2,1H3.
What are the key properties of 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde?
4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde has a molecular weight of 375.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 2947004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).