(7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol

C24H25NO2 — CID 170149436

IUPAC(7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol
SMILESCCCCCOc1ccc2c(c1)[nH]c1c(CO)ccc(-c3ccccc3)c12
InChIInChI=1S/C24H25NO2/c1-2-3-7-14-27-19-11-13-21-22(15-19)25-24-18(16-26)10-12-20(23(21)24)17-8-5-4-6-9-17/h4-6,8-13,15,25-26H,2-3,7,14,16H2,1H3
InChIKeyZOGGUWKDSMNVIN-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.05
Rot. Bonds7

About (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol

(7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol (PubChem CID 170149436) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol.

Molecular Properties

Compound Name(7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol
PubChem CID170149436
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol
SMILESCCCCCOc1ccc2c(c1)[nH]c1c(CO)ccc(-c3ccccc3)c12
InChIInChI=1S/C24H25NO2/c1-2-3-7-14-27-19-11-13-21-22(15-19)25-24-18(16-26)10-12-20(23(21)24)17-8-5-4-6-9-17/h4-6,8-13,15,25-26H,2-3,7,14,16H2,1H3
InChIKeyZOGGUWKDSMNVIN-UHFFFAOYSA-N
XLogP6.05
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-4-propoxyphenyl)methanol
CID 134112799
5-dodecoxy-2-phenylbenzoic acid
CID 23289015
(2,4-dipentoxyphenyl)methanol
CID 54794877
5-butoxy-2-phenylphenol
CID 70451587
1-(4-hexoxyphenyl)-9H-carbazole
CID 141338057
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
1-pentoxy-4-phenylbenzene
CID 7021155
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1-[chloro-(4-tetradecoxyphenyl)methyl]-2-phenyl-4-tetradecoxybenzene
CID 142735067
4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene
CID 21281407
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210

Frequently Asked Questions

What is the IUPAC name of (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol?
The IUPAC name of (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol (CID 170149436) is (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol.
What is the SMILES notation for (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol?
The canonical SMILES for (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol is CCCCCOc1ccc2c(c1)[nH]c1c(CO)ccc(-c3ccccc3)c12.
What is the InChIKey of (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol?
The InChIKey is ZOGGUWKDSMNVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-3-7-14-27-19-11-13-21-22(15-19)25-24-18(16-26)10-12-20(23(21)24)17-8-5-4-6-9-17/h4-6,8-13,15,25-26H,2-3,7,14,16H2,1H3.
What are the key properties of (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol?
(7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol has a molecular weight of 359.47 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-pentoxy-4-phenyl-9H-carbazol-1-yl)methanol is sourced from PubChem (CID 170149436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).