3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol

C19H26O — CID 156821260

IUPAC3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol
SMILESCCC(C)CC(C)c1c(C)cc(O)c2cccc(C)c12
InChIInChI=1S/C19H26O/c1-6-12(2)10-14(4)18-15(5)11-17(20)16-9-7-8-13(3)19(16)18/h7-9,11-12,14,20H,6,10H2,1-5H3
InChIKeySRCMQVXPDUGEDJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.70
Rot. Bonds4

About 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol

3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol (PubChem CID 156821260) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol
PubChem CID156821260
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol
SMILESCCC(C)CC(C)c1c(C)cc(O)c2cccc(C)c12
InChIInChI=1S/C19H26O/c1-6-12(2)10-14(4)18-15(5)11-17(20)16-9-7-8-13(3)19(16)18/h7-9,11-12,14,20H,6,10H2,1-5H3
InChIKeySRCMQVXPDUGEDJ-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol?
The IUPAC name of 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol (CID 156821260) is 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol.
What is the SMILES notation for 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol?
The canonical SMILES for 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol is CCC(C)CC(C)c1c(C)cc(O)c2cccc(C)c12.
What is the InChIKey of 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol?
The InChIKey is SRCMQVXPDUGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-6-12(2)10-14(4)18-15(5)11-17(20)16-9-7-8-13(3)19(16)18/h7-9,11-12,14,20H,6,10H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol?
3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methylhexan-2-yl)naphthalen-1-ol is sourced from PubChem (CID 156821260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).