6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol

C26H40O2 — CID 54181114

IUPAC6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol
SMILESCCCCCCCCCCCOc1cc2cc(CC)ccc2c(O)c1CCC
InChIInChI=1S/C26H40O2/c1-4-7-8-9-10-11-12-13-14-18-28-25-20-22-19-21(6-3)16-17-23(22)26(27)24(25)15-5-2/h16-17,19-20,27H,4-15,18H2,1-3H3
InChIKeyPBVXVTJHLRVXFC-UHFFFAOYSA-N
MW384.60 g/mol
LogP7.97
Rot. Bonds14

About 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol

6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol (PubChem CID 54181114) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol.

Molecular Properties

Compound Name6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol
PubChem CID54181114
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol
SMILESCCCCCCCCCCCOc1cc2cc(CC)ccc2c(O)c1CCC
InChIInChI=1S/C26H40O2/c1-4-7-8-9-10-11-12-13-14-18-28-25-20-22-19-21(6-3)16-17-23(22)26(27)24(25)15-5-2/h16-17,19-20,27H,4-15,18H2,1-3H3
InChIKeyPBVXVTJHLRVXFC-UHFFFAOYSA-N
XLogP7.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 137441070
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CID 66940139
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
1,2,3-tridodecoxy-5-propylbenzene
CID 91343460
1,2,3-tri(icosoxy)-5-propylbenzene
CID 91304070
3-heptoxy-4,5-dipropylbenzene-1,2-diol
CID 154435210
3-hexoxy-4,5-dipropylbenzene-1,2-diol
CID 154435208
3-nonoxy-4,5-dipropylbenzene-1,2-diol
CID 154435214
2,6-di(nonoxy)phenol
CID 22024876
2,3,6,7,11,12-hexahexoxybenzo[b]triphenylene
CID 132991294
2,6-diheptoxyphenol
CID 57426104

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol?
The IUPAC name of 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol (CID 54181114) is 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol.
What is the SMILES notation for 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol?
The canonical SMILES for 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol is CCCCCCCCCCCOc1cc2cc(CC)ccc2c(O)c1CCC.
What is the InChIKey of 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol?
The InChIKey is PBVXVTJHLRVXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-4-7-8-9-10-11-12-13-14-18-28-25-20-22-19-21(6-3)16-17-23(22)26(27)24(25)15-5-2/h16-17,19-20,27H,4-15,18H2,1-3H3.
What are the key properties of 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol?
6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol has a molecular weight of 384.60 g/mol, XLogP of 7.97, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol is sourced from PubChem (CID 54181114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).