methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol

C25H44O2 — CID 160819739

IUPACmethane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
SMILESC.C.C.C.CCC(CCCC(C)c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H28O2.4CH4/c1-4-17(19-10-14-21(23-3)15-11-19)7-5-6-16(2)18-8-12-20(22)13-9-18;;;;/h8-17,22H,4-7H2,1-3H3;4*1H4
InChIKeySFJMJRPWQQDYAP-UHFFFAOYSA-N
MW376.63 g/mol
LogP8.41
Rot. Bonds8

About methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol

methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol (PubChem CID 160819739) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol.

Molecular Properties

Compound Namemethane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
PubChem CID160819739
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Namemethane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
SMILESC.C.C.C.CCC(CCCC(C)c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H28O2.4CH4/c1-4-17(19-10-14-21(23-3)15-11-19)7-5-6-16(2)18-8-12-20(22)13-9-18;;;;/h8-17,22H,4-7H2,1-3H3;4*1H4
InChIKeySFJMJRPWQQDYAP-UHFFFAOYSA-N
XLogP8.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 23550616
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
6-(4-methoxyphenyl)heptan-2-one
CID 101408915
4-hexan-2-ylphenol
CID 12579179
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
4-dodecan-3-ylphenol
CID 12820022
2-cyclohexylpropan-2-yl 2-[4-[6-(4-hydroxyphenyl)octan-2-yl]phenoxy]acetate
CID 126747371
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
methane;4-methoxyphenol
CID 159494332

Frequently Asked Questions

What is the IUPAC name of methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol?
The IUPAC name of methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol (CID 160819739) is methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol.
What is the SMILES notation for methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol?
The canonical SMILES for methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol is C.C.C.C.CCC(CCCC(C)c1ccc(O)cc1)c1ccc(OC)cc1.
What is the InChIKey of methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol?
The InChIKey is SFJMJRPWQQDYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.4CH4/c1-4-17(19-10-14-21(23-3)15-11-19)7-5-6-16(2)18-8-12-20(22)13-9-18;;;;/h8-17,22H,4-7H2,1-3H3;4*1H4.
What are the key properties of methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol?
methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol has a molecular weight of 376.63 g/mol, XLogP of 8.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol is sourced from PubChem (CID 160819739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).