(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol

C18H19BrO — CID 65307271

IUPAC(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESCc1ccc(Br)cc1C(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19BrO/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,18,20H,2-5H2,1H3
InChIKeyIFFAPPQKNQKPHX-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.72
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol

(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol (PubChem CID 65307271) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
PubChem CID65307271
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESCc1ccc(Br)cc1C(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19BrO/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,18,20H,2-5H2,1H3
InChIKeyIFFAPPQKNQKPHX-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803352
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol
CID 134498429
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63438997
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol (CID 65307271) is (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol is Cc1ccc(Br)cc1C(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is IFFAPPQKNQKPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,18,20H,2-5H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 331.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 65307271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).